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LEV : Summary
Code
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LEV
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One-letter code
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X
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Molecule name
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4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide
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Synonyms
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lenvatinib
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Systematic names
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Formula
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C21 H19 Cl N4 O4
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Formal charge
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0
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Molecular weight
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426.853 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
COc2cc1nccc(c1cc2C(N)=O)Oc3cc(c(cc3)NC(=O)NC4CC4)Cl |
SMILES
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CACTVS |
3.385 |
COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4 |
Canonical SMILES
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CACTVS |
3.385 |
COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4 |
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IUPAC InChI | InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28) |
IUPAC InChI key | WOSKHXYHFSIKNG-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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49 (30 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAD
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2014-09-26
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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