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RMK

Summary
Name:~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide
Formula:C27 H34 N6 O2
Formal charge:0
Formula weight:474.598 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C27H34N6O2/c1-15(2)33-22(13-14-28-33)26(34)30-25(24(19-5-6-19)20-7-8-20)27(35)29-21-11-9-18(10-12-21)23-16(3)31-32-17(23)4/h9-15,19-20,24-25H,5-8H2,1-4H3,(H,29,35)(H,30,34)(H,31,32)/t25-/m0/s1
InChIKeyInChI1.03CQKVACARDGYEMU-VWLOTQADSA-N
SMILES_CANONICALCACTVS3.385CC(C)n1nccc1C(=O)N[C@@H](C(C2CC2)C3CC3)C(=O)Nc4ccc(cc4)c5c(C)[nH]nc5C
SMILESCACTVS3.385CC(C)n1nccc1C(=O)N[CH](C(C2CC2)C3CC3)C(=O)Nc4ccc(cc4)c5c(C)[nH]nc5C
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c(n[nH]1)C)c2ccc(cc2)NC(=O)[C@H](C(C3CC3)C4CC4)NC(=O)c5ccnn5C(C)C
SMILESOpenEye OEToolkits2.0.7Cc1c(c(n[nH]1)C)c2ccc(cc2)NC(=O)C(C(C3CC3)C4CC4)NC(=O)c5ccnn5C(C)C

221051

PDB entries from 2024-06-12

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