General Information of the Compound
| Compound ID |
CP0552856
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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]benzazepine
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| Formula |
C21H23N5
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| Molecular Weight |
345.45
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| Canonical SMILES |
C1CN(CCC1c1nnc2CCCc3ccccc3-n12)c1ccccn1
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| InChI |
InChI=1S/C21H23N5/c1-2-8-18-16(6-1)7-5-10-20-23-24-21(26(18)20)17-11-14-25(15-12-17)19-9-3-4-13-22-19/h1-4,6,8-9,13,17H,5,7,10-12,14-15H2
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| InChIKey |
NEUQQAXRDAODEX-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