tenifatecan Report issue

Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

905.19

ALogP

11.38

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)CCC(=O)Oc6c(C)c(C)c7O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCc7c6C)cc15)[C@@](O)(CC)C(=O)OC4
  • InChIKey: KRHZRBUSQSYTTP-PTXGIJCNSA-N
    InChI=1S/C55H72N2O9/c1-11-39-41-28-38(21-22-45(41)56-49-42(39)30-57-46(49)29-44-43(52(57)60)31-63-53(61)55(44,62)12-2)64-47(58)23-24-48(59)65-50-35(7)36(8)51-40(37(50)9)25-27-54(10,66-51)26-15-20-34(6)19-14-18-33(5)17-13-16-32(3)4/h21-22,28-29,32-34,62H,11-20,23-27,30-31H2,1-10H3/t33-,34-,54-,55+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2105666   ChEMBL
tenifatecan

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