General Information of the Compound
| Compound ID |
CP0494239
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| Compound Name |
N-[5-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-4-[4-[(3,5-difluorophenyl)methyl]-4-methylpiperazin-4-ium-1-yl]benzamide;bromide
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| Formula |
C33H35BrF4N6O
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| Molecular Weight |
687.58
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| Canonical SMILES |
[Br-].CC1(C)N(Cc2cc(F)cc(F)c2)Cc2c(NC(=O)c3ccc(cc3)N3CC[N+](C)(Cc4cc(F)cc(F)c4)CC3)n[nH]c12
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| InChI |
InChI=1S/C33H34F4N6O.BrH/c1-33(2)30-29(19-42(33)18-21-12-24(34)16-25(35)13-21)31(40-39-30)38-32(44)23-4-6-28(7-5-23)41-8-10-43(3,11-9-41)20-22-14-26(36)17-27(37)15-22;/h4-7,12-17H,8-11,18-20H2,1-3H3,(H-,38,39,40,44);1H
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| InChIKey |
NSGURSYZRQQVCZ-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