General Information of the Compound
| Compound ID |
CP0471251
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| Compound Name |
N-(5-benzyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl)benzamide
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| Formula |
C21H22N4O
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| Molecular Weight |
346.434
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| Canonical SMILES |
CC1(C)N(Cc2ccccc2)Cc2c(NC(=O)c3ccccc3)n[nH]c12
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| InChI |
InChI=1S/C21H22N4O/c1-21(2)18-17(14-25(21)13-15-9-5-3-6-10-15)19(24-23-18)22-20(26)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H2,22,23,24,26)
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| InChIKey |
UCEJVJFDKNVXDE-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