General Information of the Compound
| Compound ID |
CP0558465
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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-methoxy-N-methylbenzamide
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| Structure |
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| Formula |
C20H22Cl2F3N5O3
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| Molecular Weight |
508.328
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| Canonical SMILES |
CNC(=O)c1cc(cc(OC)c1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
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| InChI |
InChI=1S/C20H22Cl2F3N5O3/c1-11-16(21)18(20(23,24)25)27-30(11)10-15(31)29-6-4-28(5-7-29)12-8-13(19(32)26-2)17(22)14(9-12)33-3/h8-9H,4-7,10H2,1-3H3,(H,26,32)
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| InChIKey |
KMQMSBDZHYYTAY-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