3MR

(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE


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Chemical Component Summary

Name(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE
Identifiers(4S)-4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N,4-dicyclohexyl-N-methyl-butanamide
FormulaC31 H42 N4 O2
Molecular Weight502.691
TypeNON-POLYMER
Isomeric SMILESCN(C1CCCCC1)C(=O)CC[C@@H](C2CCCCC2)N3Cc4cc(ccc4N=C3N)Oc5ccccc5
InChIInChI=1S/C31H42N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h4,9-10,15-18,21,23,25,29H,2-3,5-8,11-14,19-20,22H2,1H3,(H2,32,33)/t29-/m0/s1
InChIKeyJKQCQYBXDQPJNC-LJAQVGFWSA-N

Chemical Details

Formal Charge0
Atom Count79
Chiral Atom Count1
Bond Count83
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL244347
PubChem 16741239
ChEMBL CHEMBL244347