General Information of the Compound
| Compound ID |
CP0288872
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| Compound Name |
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(Z)-octadec-9-enyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C34H44Cl3N3O
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| Molecular Weight |
617.105
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C34H44Cl3N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-38-34(41)31-26-33(27-18-20-28(35)21-19-27)40(39-31)32-23-22-29(36)25-30(32)37/h9-10,18-23,25-26H,2-8,11-17,24H2,1H3,(H,38,41)/b10-9-
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| InChIKey |
MWGUEQHRWXAZQG-KTKRTIGZSA-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