General Information of the Compound
| Compound ID |
CP0548263
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| Compound Name |
N-[5-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]quinoline-6-carboxamide
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| Formula |
C24H21F2N5O
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| Molecular Weight |
433.462
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| Canonical SMILES |
CC1(C)N(Cc2cc(F)cc(F)c2)Cc2c(NC(=O)c3ccc4ncccc4c3)n[nH]c12
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| InChI |
InChI=1S/C24H21F2N5O/c1-24(2)21-19(13-31(24)12-14-8-17(25)11-18(26)9-14)22(30-29-21)28-23(32)16-5-6-20-15(10-16)4-3-7-27-20/h3-11H,12-13H2,1-2H3,(H2,28,29,30,32)
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| InChIKey |
DEBYKTQMFZDTSV-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