belotecan Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

433.51

ALogP

2.62

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(CCNC(C)C)c5ccccc5nc34)C2=O
  • InChIKey: LNHWXBUNXOXMRL-VWLOTQADSA-N
    InChI=1S/C25H27N3O4/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3/t25-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2111084   ChEMBL
belotecan *

CHEMBL2107315   ChEMBL
belotecan hydrochloride

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