General Information of the Compound
| Compound ID |
CP0551918
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| Compound Name |
1-[(2S)-3-(4-cyanophenyl)-1-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea
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| Structure |
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| Formula |
C25H20F2N4O2
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| Molecular Weight |
446.457
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| Canonical SMILES |
Fc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N2Cc3ccc(F)cc3C2)cc1
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| InChI |
InChI=1S/C25H20F2N4O2/c26-20-7-9-22(10-8-20)29-25(33)30-23(11-16-1-3-17(13-28)4-2-16)24(32)31-14-18-5-6-21(27)12-19(18)15-31/h1-10,12,23H,11,14-15H2,(H2,29,30,33)/t23-/m0/s1
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| InChIKey |
QBUYDHQHPITKBU-QHCPKHFHSA-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