General Information of the Compound
| Compound ID |
CP0342651
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| Compound Name |
[(1R)-1-(2-chlorophenyl)ethyl] N-[4-(2-fluorophenyl)-2-methylpyrazol-3-yl]carbamate
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| Structure |
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| Formula |
C19H17ClFN3O2
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| Molecular Weight |
373.815
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| Canonical SMILES |
C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccccc1F)c1ccccc1Cl
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| InChI |
InChI=1S/C19H17ClFN3O2/c1-12(13-7-3-5-9-16(13)20)26-19(25)23-18-15(11-22-24(18)2)14-8-4-6-10-17(14)21/h3-12H,1-2H3,(H,23,25)/t12-/m1/s1
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| InChIKey |
SSMIBGPOHRVNGJ-GFCCVEGCSA-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