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TFP : Summary
Code
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TFP
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One-letter code
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X
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Molecule name
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10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
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Systematic names
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Formula
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C21 H24 F3 N3 S
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Formal charge
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0
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Molecular weight
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407.496 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
FC(F)(F)c2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(C)CC4 |
SMILES
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CACTVS |
3.341 |
CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F |
Canonical SMILES
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CACTVS |
3.341 |
CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F |
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IUPAC InChI | InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3 |
IUPAC InChI key | ZEWQUBUPAILYHI-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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52 (28 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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HETAIN
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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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1999-07-08
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Last modified at
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2011-06-04
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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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