General Information of the Compound
| Compound ID |
CP0364554
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| Compound Name |
1,5-bis(4-chlorophenyl)-N-[(Z)-octadec-9-enyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C34H45Cl2N3O
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| Molecular Weight |
582.66
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C34H45Cl2N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-37-34(40)32-27-33(28-18-20-29(35)21-19-28)39(38-32)31-24-22-30(36)23-25-31/h9-10,18-25,27H,2-8,11-17,26H2,1H3,(H,37,40)/b10-9-
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| InChIKey |
QBIRJKIKHWVOEU-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