General Information of the Compound
| Compound ID |
CP0579217
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| Compound Name |
1-[(2R)-3-(4-cyanophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea
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| Structure |
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| Formula |
C26H23FN4O2
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| Molecular Weight |
442.494
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| Canonical SMILES |
Fc1ccc(NC(=O)N[C@H](Cc2ccc(cc2)C#N)C(=O)N2CCCc3ccccc23)cc1
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| InChI |
InChI=1S/C26H23FN4O2/c27-21-11-13-22(14-12-21)29-26(33)30-23(16-18-7-9-19(17-28)10-8-18)25(32)31-15-3-5-20-4-1-2-6-24(20)31/h1-2,4,6-14,23H,3,5,15-16H2,(H2,29,30,33)/t23-/m1/s1
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| InChIKey |
RPCMTLXSDIBBNI-HSZRJFAPSA-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