bms-817399 Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

454.01

ALogP

2.88

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
  • InChIKey: GTDPZONCGOCXOD-JPYJTQIMSA-N
    InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3334824   ChEMBL
bms-817399

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