General Information of the Compound
| Compound ID |
CP0129912
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| Compound Name |
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-imidazole-2-carboxamide
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| Formula |
C26H29F3N6O2
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| Molecular Weight |
514.552
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| Canonical SMILES |
CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3ncc[nH]3)c2)CC1
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| InChI |
InChI=1S/C26H29F3N6O2/c1-3-34-10-12-35(13-11-34)16-19-6-5-18(14-21(19)26(27,28)29)24(36)32-20-7-4-17(2)22(15-20)33-25(37)23-30-8-9-31-23/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,30,31)(H,32,36)(H,33,37)
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| InChIKey |
XUBKCETYEZUEFN-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