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P13

Summary
Name:N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
Synonyms:RBT550 INHIBITOR
Formula:C24 H33 N5 O
Formal charge:0
Formula weight:407.552 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-[4-(1H-indol-5-yl)-2-{[(2-piperazin-1-ylethyl)amino]methyl}phenoxy]propan-1-amine
OpenEye OEToolkits1.5.03-[4-(1H-indol-5-yl)-2-[(2-piperazin-1-ylethylamino)methyl]phenoxy]propan-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(c3ccc(c2cc1ccnc1cc2)cc3CNCCN4CCNCC4)CCCN
SMILES_CANONICALCACTVS3.341NCCCOc1ccc(cc1CNCCN2CCNCC2)c3ccc4[nH]ccc4c3
SMILESCACTVS3.341NCCCOc1ccc(cc1CNCCN2CCNCC2)c3ccc4[nH]ccc4c3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc2c(cc[nH]2)cc1c3ccc(c(c3)CNCCN4CCNCC4)OCCCN
SMILESOpenEye OEToolkits1.5.0c1cc2c(cc[nH]2)cc1c3ccc(c(c3)CNCCN4CCNCC4)OCCCN
InChIInChI1.03InChI=1S/C24H33N5O/c25-7-1-15-30-24-5-3-20(19-2-4-23-21(16-19)6-8-28-23)17-22(24)18-27-11-14-29-12-9-26-10-13-29/h2-6,8,16-17,26-28H,1,7,9-15,18,25H2
InChIKeyInChI1.03WVRJFVULANTNJW-UHFFFAOYSA-N

247536

PDB entries from 2026-01-14

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