bay-1082439 Report issue

Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

494.55

ALogP

0.96

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1c(OC[C@H](O)CN2CCOCC2)ccc2c1N=C(NC(=O)c1cccnc1C)N1CCN=C21
  • InChIKey: JGNRMIWLBBNSMU-QGZVFWFLSA-N
    InChI=1S/C25H30N6O5/c1-16-18(4-3-7-26-16)24(33)29-25-28-21-19(23-27-8-9-31(23)25)5-6-20(22(21)34-2)36-15-17(32)14-30-10-12-35-13-11-30/h3-7,17,32H,8-15H2,1-2H3,(H,28,29,33)/t17-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545245   ChEMBL
bay-1082439

CHEMBL3644672   ChEMBL
bay-1082439

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