General Information of the Compound
| Compound ID |
CP0569560
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| Compound Name |
8-ethynyl-1-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine
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| Formula |
C23H23N5
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| Molecular Weight |
369.472
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| Canonical SMILES |
C#Cc1ccc-2c(CCCc3nnc(C4CCN(CC4)c4ccccn4)n-23)c1
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| InChI |
InChI=1S/C23H23N5/c1-2-17-9-10-20-19(16-17)6-5-8-22-25-26-23(28(20)22)18-11-14-27(15-12-18)21-7-3-4-13-24-21/h1,3-4,7,9-10,13,16,18H,5-6,8,11-12,14-15H2
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| InChIKey |
CNNHHOQBRISXJY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound