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TFP

Summary
Name:10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
Formula:C21 H24 F3 N3 S
Formal charge:0
Formula weight:407.496 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.0410-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine
OpenEye OEToolkits1.5.010-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)(F)c2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(C)CC4
SMILES_CANONICALCACTVS3.341CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1
SMILESCACTVS3.341CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1
SMILES_CANONICALOpenEye OEToolkits1.5.0CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F
SMILESOpenEye OEToolkits1.5.0CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F
InChIInChI1.03InChI=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
InChIKeyInChI1.03ZEWQUBUPAILYHI-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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