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Chemistry

Mol. Mass

483.951

ALogP

2.43

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COC1=C(Cl)C=C(CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4CO)C=C1
  • InChIKey: WEAJZXNPAWBCOA-INIZCTEOSA-N
    1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1963681   ChEMBL
avanafil

DR5S136IVO   NCATS
avanafil *

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