General Information of the Compound
| Compound ID |
CP0519749
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| Compound Name |
(2S)-3-(4-cyanophenyl)-N-[[1-(3-fluoro-4-methylphenyl)cyclopropyl]methyl]-2-[(4-fluorophenyl)carbamoylamino]propanamide
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| Structure |
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| Formula |
C28H26F2N4O2
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| Molecular Weight |
488.538
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| Canonical SMILES |
Cc1ccc(cc1F)C1(CNC(=O)[C@H](Cc2ccc(cc2)C#N)NC(=O)Nc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C28H26F2N4O2/c1-18-2-7-21(15-24(18)30)28(12-13-28)17-32-26(35)25(14-19-3-5-20(16-31)6-4-19)34-27(36)33-23-10-8-22(29)9-11-23/h2-11,15,25H,12-14,17H2,1H3,(H,32,35)(H2,33,34,36)/t25-/m0/s1
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| InChIKey |
WTPANDPDZQSZHX-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