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PD 123177

PropertiesImage
MNX_IDMNXM71169 Image of MNXM71169
referencechebi:79978
formulaC29H28N4O3
global charge0
mol weight480.568
InChIKeyKLVDUSUYBDMJKR-UHFFFAOYSA-N
InChIInChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)
SMILESCC1=CC(CN2C=NC3=C2CC(C(=O)O)N(C(=O)C(C2=CC=CC=C2)C2=CC=CC=C2)C3)=CC=C1N
MNX internals
InChI (mnx)InChI=1/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)/t26? Image of MNXM71169
SMILES (mnx)[CH3:1][C:19]1=[C:23]([NH2:30])[CH:13]=[CH:12][C:20]([CH2:16][N:32]2[CH:18]=[N:31][C:24]3=[C:25]2[CH2:15][CH:26]([C:29](=[O:35])[OH:36])[N:33]([C:28]([CH:27]([C:21]2=[CH:8][CH:4]=[CH:2][CH:5]=[CH:9]2)[C:22]2=[CH:10][CH:6]=[CH:3][CH:7]=[CH:11]2)=[O:34])[CH2:17]3)=[CH:14]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd11222
seedM:cpd11222
CHEBI:79978
chebi:79978
kegg.compound:C15552
keggC:C15552
KLVDUSUYBDMJKR-UHFFFAOYSA-M
KLVDUSUYBDMJKR-UHFFFAOYSA-N 		PD 123177
hmdb:HMDB0260240
KLVDUSUYBDMJKR-UHFFFAOYSA-N 		1-[(4-Amino-3-methylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
1-((4-Amino-3-methylphenyl)methyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5C)pyridine-6-carboxylic acid
1-[(4-Amino-3-methylphenyl)methyl]-5-(2,2-diphenylacetyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylate
1-[(4-Amino-3-methylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
1-[(4-amino-3-methylphenyl)methyl]-5-(2,2-diphenylacetyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid
1-[(4-amino-3-methylphenyl)methyl]-5-(2,2-diphenylacetyl)-4H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid
EXP 655
EXP-655

keggC:M_C15552
seedM:M_cpd11222 		secondary/obsolete/fantasy identifier