lanabecestat Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

412.54

ALogP

4.24

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(N=C(C)C(N)=N2)[C@]2(CC[C@H](OC)CC2)C3)c1
  • InChIKey: WKDNQONLGXOZRG-HRNNMHKYSA-N
    InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989948   ChEMBL
lanabecestat

Lanabecestat   Wikipedia

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