General Information of the Compound
| Compound ID |
CP0558464
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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,N-dimethylbenzamide
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| Structure |
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| Formula |
C21H24Cl2F3N5O3
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| Molecular Weight |
522.355
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| Canonical SMILES |
COc1cc(cc(C(=O)N(C)C)c1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
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| InChI |
InChI=1S/C21H24Cl2F3N5O3/c1-12-17(22)19(21(24,25)26)27-31(12)11-16(32)30-7-5-29(6-8-30)13-9-14(20(33)28(2)3)18(23)15(10-13)34-4/h9-10H,5-8,11H2,1-4H3
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| InChIKey |
AFQAOUGZKYKDEW-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