General Information of the Compound
| Compound ID |
CP0538091
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| Compound Name |
1-[(3S,4R)-4-(2-chloro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
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| Structure |
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| Formula |
C18H17ClFN3O3
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| Molecular Weight |
377.803
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| Canonical SMILES |
COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(Cl)c1
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| InChI |
InChI=1S/C18H17ClFN3O3/c1-26-12-6-7-13(15(19)8-12)14-9-21-17(24)16(14)23-18(25)22-11-4-2-10(20)3-5-11/h2-8,14,16H,9H2,1H3,(H,21,24)(H2,22,23,25)/t14-,16-/m0/s1
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| InChIKey |
BQONVSBPTGKRDZ-HOCLYGCPSA-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: PT02015, fMet-Leu-Phe receptor
Protein ID: PT02590, N-formyl peptide receptor 2