General Information of the Compound
| Compound ID |
CP0288871
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| Compound Name |
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(Z)-octadec-9-enyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C35H46Cl3N3O
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| Molecular Weight |
631.132
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C35H46Cl3N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-39-35(42)33-27(2)34(28-19-21-29(36)22-20-28)41(40-33)32-24-23-30(37)26-31(32)38/h10-11,19-24,26H,3-9,12-18,25H2,1-2H3,(H,39,42)/b11-10-
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| InChIKey |
NKEFVSDMFBNDPK-KHPPLWFESA-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