General Information of the Compound
| Compound ID |
CP0553599
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| Compound Name |
N-[5-[(2,3-difluorophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]naphthalene-2-carboxamide
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| Formula |
C25H22F2N4O
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| Molecular Weight |
432.474
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| Canonical SMILES |
CC1(C)N(Cc2cccc(F)c2F)Cc2c(NC(=O)c3ccc4ccccc4c3)n[nH]c12
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| InChI |
InChI=1S/C25H22F2N4O/c1-25(2)22-19(14-31(25)13-18-8-5-9-20(26)21(18)27)23(30-29-22)28-24(32)17-11-10-15-6-3-4-7-16(15)12-17/h3-12H,13-14H2,1-2H3,(H2,28,29,30,32)
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| InChIKey |
YYTWPCDBYLBCLB-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