General Information of the Compound
| Compound ID |
CP0548119
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| Compound Name |
(2S)-3-(4-cyanophenyl)-N-[[1-(3-fluoro-4-methylphenyl)cyclopropyl]methyl]-2-[(4-methoxyphenyl)carbamoylamino]propanamide
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| Structure |
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| Formula |
C29H29FN4O3
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| Molecular Weight |
500.574
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| Canonical SMILES |
COc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)NCC2(CC2)c2ccc(C)c(F)c2)cc1
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| InChI |
InChI=1S/C29H29FN4O3/c1-19-3-8-22(16-25(19)30)29(13-14-29)18-32-27(35)26(15-20-4-6-21(17-31)7-5-20)34-28(36)33-23-9-11-24(37-2)12-10-23/h3-12,16,26H,13-15,18H2,1-2H3,(H,32,35)(H2,33,34,36)/t26-/m0/s1
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| InChIKey |
ZNUHHHBPSKEPJC-SANMLTNESA-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