General Information of the Compound
| Compound ID |
CP0422949
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| Compound Name |
1-(4-cyanophenyl)-3-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
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| Structure |
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| Formula |
C19H16F2N4O3
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| Molecular Weight |
386.358
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| Canonical SMILES |
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(cc2)C#N)c(F)c1
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| InChI |
InChI=1S/C19H16F2N4O3/c1-28-12-6-14(20)16(15(21)7-12)13-9-23-18(26)17(13)25-19(27)24-11-4-2-10(8-22)3-5-11/h2-7,13,17H,9H2,1H3,(H,23,26)(H2,24,25,27)/t13-,17-/m0/s1
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| InChIKey |
DNQYEGVNWFUORS-GUYCJALGSA-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