General Information of the Compound
| Compound ID |
CP0212471
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| Compound Name |
[(1R)-1-phenylethyl] N-[2-methyl-4-(4-phenylphenyl)pyrazol-3-yl]carbamate
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| Structure |
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| Formula |
C25H23N3O2
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| Molecular Weight |
397.478
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| Canonical SMILES |
C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H23N3O2/c1-18(19-9-5-3-6-10-19)30-25(29)27-24-23(17-26-28(24)2)22-15-13-21(14-16-22)20-11-7-4-8-12-20/h3-18H,1-2H3,(H,27,29)/t18-/m1/s1
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| InChIKey |
GMRXJBDWQJHRKY-GOSISDBHSA-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