General Information of the Compound
| Compound ID |
CP0553031
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| Compound Name |
1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
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| Structure |
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| Formula |
C19H19F2N3O4
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| Molecular Weight |
391.374
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| Canonical SMILES |
COc1ccc(NC(=O)N[C@H]2[C@@H](CNC2=O)c2c(F)cc(OC)cc2F)cc1
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| InChI |
InChI=1S/C19H19F2N3O4/c1-27-11-5-3-10(4-6-11)23-19(26)24-17-13(9-22-18(17)25)16-14(20)7-12(28-2)8-15(16)21/h3-8,13,17H,9H2,1-2H3,(H,22,25)(H2,23,24,26)/t13-,17-/m0/s1
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| InChIKey |
MRGOIRNRIONTRI-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