General Information of the Compound
| Compound ID |
CP0333740
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| Compound Name |
5-(4-chlorophenyl)-N-[(Z)-octadec-9-enyl]-1-phenylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C34H46ClN3O
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| Molecular Weight |
548.215
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C34H46ClN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-36-34(39)32-28-33(29-23-25-30(35)26-24-29)38(37-32)31-21-18-17-19-22-31/h9-10,17-19,21-26,28H,2-8,11-16,20,27H2,1H3,(H,36,39)/b10-9-
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| InChIKey |
IOEQILIYUDHSJY-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