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464

Summary
Name:3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OXO-2H-INDOL-3-YL}METHYL)-1H-PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE
Formula:C28 H30 N6 O3
Formal charge:0
Formula weight:498.576 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(5-{[5-(carbamoylamino)-2-oxo-2H-indol-3-yl]methyl}-1H-pyrrol-3-yl)-N-(2-piperidin-1-ylethyl)benzamide
OpenEye OEToolkits1.5.03-[5-[[5-(aminocarbonylamino)-2-oxo-indol-3-yl]methyl]-1H-pyrrol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N)NC=1C=CC2=NC(=O)C(=C2C=1)Cc3cc(cn3)c4cccc(c4)C(=O)NCCN5CCCCC5
SMILES_CANONICALCACTVS3.341NC(=O)NC1=CC2=C(Cc3[nH]cc(c3)c4cccc(c4)C(=O)NCCN5CCCCC5)C(=O)N=C2C=C1
SMILESCACTVS3.341NC(=O)NC1=CC2=C(Cc3[nH]cc(c3)c4cccc(c4)C(=O)NCCN5CCCCC5)C(=O)N=C2C=C1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)C(=O)NCCN2CCCCC2)c3cc([nH]c3)CC4=C5C=C(C=CC5=NC4=O)NC(=O)N
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)C(=O)NCCN2CCCCC2)c3cc([nH]c3)CC4=C5C=C(C=CC5=NC4=O)NC(=O)N
InChIInChI1.03InChI=1S/C28H30N6O3/c29-28(37)32-21-7-8-25-23(15-21)24(27(36)33-25)16-22-14-20(17-31-22)18-5-4-6-19(13-18)26(35)30-9-12-34-10-2-1-3-11-34/h4-8,13-15,17,31H,1-3,9-12,16H2,(H,30,35)(H3,29,32,37)
InChIKeyInChI1.03PWZOBKJHPWISGC-UHFFFAOYSA-N

226707

數據於2024-10-30公開中

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