General Information of the Compound
| Compound ID |
CP0571840
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| Compound Name |
1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-[(2S,3S)-3-hydroxybutan-2-yl]-2-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
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| Structure |
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| Formula |
C24H24F4N2O4S
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| Molecular Weight |
512.525
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| Canonical SMILES |
C[C@H](O)[C@@H](C)c1cc(C(=O)Nc2ccc(cc2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C24H24F4N2O4S/c1-13(15(3)31)22-12-19(23(32)29-17-6-8-18(9-7-17)35(4,33)34)14(2)30(22)21-10-5-16(25)11-20(21)24(26,27)28/h5-13,15,31H,1-4H3,(H,29,32)/t13-,15+/m1/s1
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| InChIKey |
ICSRXDFKUOSNPF-HIFRSBDPSA-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