General Information of the Compound
| Compound ID |
CP0526349
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| Compound Name |
2-[3-[[2-(methylamino)ethylamino]methyl]phenyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C24H26F3N7O
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| Molecular Weight |
485.514
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| Canonical SMILES |
CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1nc2ccccc2n1C)C(F)(F)F
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| InChI |
InChI=1S/C24H26F3N7O/c1-28-10-11-29-14-16-6-5-7-17(12-16)34-20(13-21(32-34)24(25,26)27)23(35)30-15-22-31-18-8-3-4-9-19(18)33(22)2/h3-9,12-13,28-29H,10-11,14-15H2,1-2H3,(H,30,35)
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| InChIKey |
SHWXIBNHWAGZQI-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