General Information of the Compound
| Compound ID |
CP0403140
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| Compound Name |
methyl 6-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]hexanoate
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| Structure |
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| Formula |
C24H24Cl3N3O3
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| Molecular Weight |
508.833
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| Canonical SMILES |
COC(=O)CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C24H24Cl3N3O3/c1-15-22(24(32)28-13-5-3-4-6-21(31)33-2)29-30(20-12-11-18(26)14-19(20)27)23(15)16-7-9-17(25)10-8-16/h7-12,14H,3-6,13H2,1-2H3,(H,28,32)
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| InChIKey |
WUWXJLRLBFAYFQ-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