leq-506 Report issue

Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

432.57

ALogP

3.42

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C
  • InChIKey: POERAARDVFVDLO-QGZVFWFLSA-N
    InChI=1S/C25H32N6O/c1-17-16-30(11-12-31(17)23-15-26-22(14-27-23)25(4,5)32)24-19(3)18(2)21(28-29-24)13-20-9-7-6-8-10-20/h6-10,14-15,17,32H,11-13,16H2,1-5H3/t17-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3133037   ChEMBL
leq506

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