General Information of the Compound
| Compound ID |
CP0574245
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| Compound Name |
1-[4-[5-carbamoyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzimidazol-1-yl]butyl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C32H28F6N12O4
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| Molecular Weight |
758.644
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| Canonical SMILES |
Cn1cc(C(=O)Nc2nc3cc(ccc3n2CCCCn2c(NC(=O)c3cn(C)nc3C(F)(F)F)nc3cc(ccc23)C(N)=O)C(N)=O)c(n1)C(F)(F)F
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| InChI |
InChI=1S/C32H28F6N12O4/c1-47-13-17(23(45-47)31(33,34)35)27(53)43-29-41-19-11-15(25(39)51)5-7-21(19)49(29)9-3-4-10-50-22-8-6-16(26(40)52)12-20(22)42-30(50)44-28(54)18-14-48(2)46-24(18)32(36,37)38/h5-8,11-14H,3-4,9-10H2,1-2H3,(H2,39,51)(H2,40,52)(H,41,43,53)(H,42,44,54)
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| InChIKey |
XVAUYNFRMIIVGI-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