General Information of the Compound
| Compound ID |
CP0544022
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| Compound Name |
1-[4-[3-(aminomethyl)-4-chloro-5-methoxyphenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
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| Structure |
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| Formula |
C19H22Cl2F3N5O2
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| Molecular Weight |
480.318
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| Canonical SMILES |
COc1cc(cc(CN)c1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
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| InChI |
InChI=1S/C19H22Cl2F3N5O2/c1-11-16(20)18(19(22,23)24)26-29(11)10-15(30)28-5-3-27(4-6-28)13-7-12(9-25)17(21)14(8-13)31-2/h7-8H,3-6,9-10,25H2,1-2H3
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| InChIKey |
QTGQTIPBPXRTJU-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