General Information of the Compound
| Compound ID |
CP0468588
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| Compound Name |
1-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
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| Structure |
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| Formula |
C20H22N6
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| Molecular Weight |
346.438
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| Canonical SMILES |
C1CN(CCC1c1nnc2CNCc3ccccc3-n12)c1ccccn1
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| InChI |
InChI=1S/C20H22N6/c1-2-6-17-16(5-1)13-21-14-19-23-24-20(26(17)19)15-8-11-25(12-9-15)18-7-3-4-10-22-18/h1-7,10,15,21H,8-9,11-14H2
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| InChIKey |
UFNVTSRFWHPLTQ-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