General Information of the Compound
| Compound ID |
CP0552168
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| Compound Name |
1-[(3S,4R)-4-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
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| Formula |
C17H14ClF2N3O2
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| Molecular Weight |
365.767
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| Canonical SMILES |
Fc1ccc(NC(=O)N[C@H]2[C@@H](CNC2=O)c2ccc(Cl)cc2F)cc1
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| InChI |
InChI=1S/C17H14ClF2N3O2/c18-9-1-6-12(14(20)7-9)13-8-21-16(24)15(13)23-17(25)22-11-4-2-10(19)3-5-11/h1-7,13,15H,8H2,(H,21,24)(H2,22,23,25)/t13-,15-/m0/s1
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| InChIKey |
RCAFTMBACDZFOP-ZFWWWQNUSA-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