General Information of the Compound
| Compound ID |
CP0169576
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| Compound Name |
1-(2-chlorophenyl)ethyl N-(2-methyl-4-phenylpyrazol-3-yl)carbamate
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| Structure |
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| Formula |
C19H18ClN3O2
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| Molecular Weight |
355.825
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| Canonical SMILES |
CC(OC(=O)Nc1c(cnn1C)-c1ccccc1)c1ccccc1Cl
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| InChI |
InChI=1S/C19H18ClN3O2/c1-13(15-10-6-7-11-17(15)20)25-19(24)22-18-16(12-21-23(18)2)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,22,24)
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| InChIKey |
SVHXRVCXCDHNAL-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
Protein ID: PT03925, Lysophosphatidic acid receptor 1
Protein ID: PT02824, Lysophosphatidic acid receptor 3