sabarubicin Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

643.64

ALogP

-0.13

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3C[C@@](O)(Cc4c(O)c5C(=O)c6ccccc6C(=O)c5c(O)c34)C(=O)CO)O[C@H]2C
  • InChIKey: VQHRZZISQVWPLK-UIRGBLDSSA-N
    InChI=1S/C32H37NO13/c1-12-26(37)17(33)7-21(43-12)46-31-13(2)44-22(8-18(31)35)45-19-10-32(42,20(36)11-34)9-16-23(19)30(41)25-24(29(16)40)27(38)14-5-3-4-6-15(14)28(25)39/h3-6,12-13,17-19,21-22,26,31,34-35,37,40-42H,7-11,33H2,1-2H3/t12-,13-,17-,18-,19-,21-,22-,26+,31+,32-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1230227   ChEMBL
sabarubicin *

CHEMBL591251   ChEMBL
sabarubicin

Sabarubicin   Wikipedia

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