2X6

7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one


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Chemical Component Summary

Name7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one
Identifiers7-[[(1R,2S)-2-azanylcyclohexyl]amino]-5-(1H-indol-7-ylamino)-3H-pyrido[4,3-d]pyrimidin-4-one
FormulaC21 H23 N7 O
Molecular Weight389.454
TypeNON-POLYMER
Isomeric SMILESc1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)N[C@@H]5CCCC[C@@H]5N)N=CNC4=O
InChIInChI=1S/C21H23N7O/c22-13-5-1-2-6-14(13)26-17-10-16-18(21(29)25-11-24-16)20(28-17)27-15-7-3-4-12-8-9-23-19(12)15/h3-4,7-11,13-14,23H,1-2,5-6,22H2,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
InChIKeyJZLUCFJMWJDRIK-UONOGXRCSA-N

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count2
Bond Count56
Aromatic Bond Count16

Related Resource References

Resource NameReference
Pharos CHEMBL3262356
PubChem 135566923, 73659204
ChEMBL CHEMBL3262356