bms-813160 Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

484.65

ALogP

2.25

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O
  • InChIKey: CMVHFGNTABZQJU-HCXYKTFWSA-N
    InChI=1S/C25H40N8O2/c1-15(34)28-18-12-16(30-25(5,6)7)8-9-19(18)32-11-10-17(22(32)35)29-23-27-14-26-21-13-20(24(2,3)4)31-33(21)23/h13-14,16-19,30H,8-12H2,1-7H3,(H,28,34)(H,26,27,29)/t16-,17+,18-,19+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4594419   ChEMBL
bms-813160

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