General Information of the Compound
| Compound ID |
CP0176151
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| Compound Name |
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-methylpyrazole-3-carboxamide
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| Formula |
C27H31F3N6O2
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| Molecular Weight |
528.579
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| Canonical SMILES |
CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3ccn(C)n3)c2)CC1
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| InChI |
InChI=1S/C27H31F3N6O2/c1-4-35-11-13-36(14-12-35)17-20-7-6-19(15-22(20)27(28,29)30)25(37)31-21-8-5-18(2)24(16-21)32-26(38)23-9-10-34(3)33-23/h5-10,15-16H,4,11-14,17H2,1-3H3,(H,31,37)(H,32,38)
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| InChIKey |
SIMHYJSDPAPVBS-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