General Information of the Compound
| Compound ID |
CP0943702
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| Compound Name |
rac-N-(2-(4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-1-(1-(2,4-dichloro-5-methoxyphenyl)piperidin-4-yl)ethyl)acetamide
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| Structure |
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| Formula |
C21H24Cl3F3N4O2
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| Molecular Weight |
527.802
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| Canonical SMILES |
COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(C)=O)CC2)c(Cl)cc1Cl
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| InChI |
InChI=1S/C21H24Cl3F3N4O2/c1-11-19(24)20(21(25,26)27)29-31(11)10-16(28-12(2)32)13-4-6-30(7-5-13)17-9-18(33-3)15(23)8-14(17)22/h8-9,13,16H,4-7,10H2,1-3H3,(H,28,32)
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| InChIKey |
UCJGEKKEDFTOHI-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