General Information of the Compound
| Compound ID |
CP0548120
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| Compound Name |
(2S)-N-[[1-(3-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(4-cyanophenyl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide
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| Structure |
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| Formula |
C28H26ClFN4O3
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| Molecular Weight |
520.992
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| Canonical SMILES |
COc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)NCC2(CC2)c2ccc(F)c(Cl)c2)cc1
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| InChI |
InChI=1S/C28H26ClFN4O3/c1-37-22-9-7-21(8-10-22)33-27(36)34-25(14-18-2-4-19(16-31)5-3-18)26(35)32-17-28(12-13-28)20-6-11-24(30)23(29)15-20/h2-11,15,25H,12-14,17H2,1H3,(H,32,35)(H2,33,34,36)/t25-/m0/s1
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| InChIKey |
XGGVKMKGFJGDRC-VWLOTQADSA-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