General Information of the Compound
| Compound ID |
CP0519748
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| Compound Name |
(2S)-3-(4-cyanophenyl)-2-[(4-nitrophenyl)carbamoylamino]-N-[(1-phenylcyclopropyl)methyl]propanamide
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| Structure |
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| Formula |
C27H25N5O4
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| Molecular Weight |
483.528
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)NCC2(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C27H25N5O4/c28-17-20-8-6-19(7-9-20)16-24(31-26(34)30-22-10-12-23(13-11-22)32(35)36)25(33)29-18-27(14-15-27)21-4-2-1-3-5-21/h1-13,24H,14-16,18H2,(H,29,33)(H2,30,31,34)/t24-/m0/s1
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| InChIKey |
FALNSHPCCKELHZ-DEOSSOPVSA-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