General Information of the Compound
| Compound ID |
CP0497443
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| Compound Name |
2-[4-chloro-5-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C20H24Cl2F3N5O2
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| Molecular Weight |
494.345
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| Canonical SMILES |
COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1CN(C)C)C(F)(F)F
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| InChI |
InChI=1S/C20H24Cl2F3N5O2/c1-27(2)11-15-18(22)19(20(23,24)25)26-30(15)12-17(31)29-8-6-28(7-9-29)13-4-5-14(21)16(10-13)32-3/h4-5,10H,6-9,11-12H2,1-3H3
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| InChIKey |
AREUOMXQUXCLHD-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