General Information of the Compound
| Compound ID |
CP0465645
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| Compound Name |
2-chloro-5-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-3-methoxybenzoic acid
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| Structure |
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| Formula |
C19H19Cl2F3N4O4
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| Molecular Weight |
495.285
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| Canonical SMILES |
COc1cc(cc(C(O)=O)c1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
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| InChI |
InChI=1S/C19H19Cl2F3N4O4/c1-10-15(20)17(19(22,23)24)25-28(10)9-14(29)27-5-3-26(4-6-27)11-7-12(18(30)31)16(21)13(8-11)32-2/h7-8H,3-6,9H2,1-2H3,(H,30,31)
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| InChIKey |
LKRVKWUQSFYYCF-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