C72

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Summary

Name:2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide
Formula:C19 H19 Cl N4 O S
Formal charge:0
Molecular weight:386.898 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide
OpenEye OEToolkits1.7.02-(4-chlorophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc4ccc(c2sc1c(cnc(c1c2)NC3CCCNC3)C(=O)N)cc4
SMILES_CANONICALCACTVS3.370NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(sc13)c4ccc(Cl)cc4
SMILESCACTVS3.370NC(=O)c1cnc(N[CH]2CCCNC2)c3cc(sc13)c4ccc(Cl)cc4
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(ccc1c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N)Cl
SMILESOpenEye OEToolkits1.7.0c1cc(ccc1c2cc3c(s2)c(cnc3NC4CCCNC4)C(=O)N)Cl
InChIInChI1.03InChI=1S/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-2-1-7-22-9-13/h3-6,8,10,13,22H,1-2,7,9H2,(H2,21,25)(H,23,24)/t13-/m0/s1
InChIKeyInChI1.03QTBPGDBHORPJSA-ZDUSSCGKSA-N
167132
PDB entries from 2020-07-29