General Information of the Compound
| Compound ID |
CP0858706
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| Compound Name |
3-methyl-1-phenyl-5a,6,7,8,9,9a-hexahydro-3H-pyrazolo[3,4-c]isoquinolin-5(4H)-one
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| Structure |
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| Formula |
C17H19N3O
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| Molecular Weight |
281.359
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| Canonical SMILES |
Cn1nc(-c2ccccc2)c2c1NC(=O)C1CCCCC21
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| InChI |
InChI=1S/C17H19N3O/c1-20-16-14(15(19-20)11-7-3-2-4-8-11)12-9-5-6-10-13(12)17(21)18-16/h2-4,7-8,12-13H,5-6,9-10H2,1H3,(H,18,21)
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| InChIKey |
XFDUUIZASDMVMV-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