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Chemistry

Mol. Mass

612.63

ALogP

3.63

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C
  • InChIKey: YJQPYGGHQPGBLI-KGSXXDOSSA-N
    InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL36506   ChEMBL
novobiocin *

CHEMBL3183453   ChEMBL
novobiocin sodium

CHEMBL3544972   ChEMBL
novobiocin calcium

RHW5BU180N   NCATS
novobiocin calcium *

17EC19951N   NCATS
novobiocin

Novobiocin   Wikipedia

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