h3b-6527 Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

629.537

ALogP

5.48

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCN1CCN(CC1)C2=CC=C(NC3=CC(=NC=N3)N(C)C(=O)NC4=C(Cl)C(OC)=CC(OC)=C4Cl)C(NC(=O)C=C)=C2
  • InChIKey: MBWRLLRCTIYXDW-UHFFFAOYSA-N
    1S/C29H34Cl2N8O4/c1-6-25(40)35-20-14-18(39-12-10-38(7-2)11-13-39)8-9-19(20)34-23-16-24(33-17-32-23)37(3)29(41)36-28-26(30)21(42-4)15-22(43-5)27(28)31/h6,8-9,14-17H,1,7,10-13H2,2-5H3,(H,35,40)(H,36,41)(H,32,33,34)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3939295   ChEMBL
h3b-6527

4HTE364XIK   NCATS
h3b-6527 *

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