General Information of the Compound
| Compound ID |
CP0085016
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| Compound Name |
[(1R)-1-phenylethyl] N-[4-(4-methoxyphenyl)-2-methylpyrazol-3-yl]carbamate
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| Structure |
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| Formula |
C20H21N3O3
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| Molecular Weight |
351.406
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| Canonical SMILES |
COc1ccc(cc1)-c1cnn(C)c1NC(=O)O[C@H](C)c1ccccc1
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| InChI |
InChI=1S/C20H21N3O3/c1-14(15-7-5-4-6-8-15)26-20(24)22-19-18(13-21-23(19)2)16-9-11-17(25-3)12-10-16/h4-14H,1-3H3,(H,22,24)/t14-/m1/s1
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| InChIKey |
XJCSFLIWXAMLCJ-CQSZACIVSA-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