D14

7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide


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Chemical Component Summary

Name7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide
Identifiers(5R)-N-[(1R,2S,5S)-2-[(7-chloroisoquinolin-3-yl)carbonylamino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carboxamide
FormulaC26 H29 Cl N6 O3 S
Molecular Weight541.065
TypeNON-POLYMER
Isomeric SMILESC[N@@]1Cc2c(sc(n2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)c4cc5ccc(cc5cn4)Cl)C(=O)N(C)C)C1
InChIInChI=1S/C26H29ClN6O3S/c1-32(2)26(36)15-5-7-18(29-23(34)20-9-14-4-6-17(27)8-16(14)11-28-20)19(10-15)30-24(35)25-31-21-12-33(3)13-22(21)37-25/h4,6,8-9,11,15,18-19H,5,7,10,12-13H2,1-3H3,(H,29,34)(H,30,35)/t15-,18-,19+/m0/s1
InChIKeyGZCKMZURFJCTJE-ZYSHUDEJSA-N

Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count3
Bond Count70
Aromatic Bond Count16

Related Resource References

Resource NameReference
Pharos CHEMBL593603
PubChem 44520929
ChEMBL CHEMBL593603