General Information of the Compound
| Compound ID |
CP0494719
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| Compound Name |
2-benzyl-1-methyl-1,2,5,6,7,8-hexahydropyrazolo[4,3-d]azepin-3(4H)-one
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| Structure |
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| Formula |
C15H19N3O
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| Molecular Weight |
257.337
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| Canonical SMILES |
Cn1c2CCNCCc2c(=O)n1Cc1ccccc1
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| InChI |
InChI=1S/C15H19N3O/c1-17-14-8-10-16-9-7-13(14)15(19)18(17)11-12-5-3-2-4-6-12/h2-6,16H,7-11H2,1H3
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| InChIKey |
UMCHVGPMZOXWPI-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