General Information of the Compound
| Compound ID |
CP0430547
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| Compound Name |
(2R)-2-[(4-nitrophenyl)carbamoylamino]-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-3-ylpropanamide
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| Structure |
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| Formula |
C25H25N5O4
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| Molecular Weight |
459.506
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(=O)N[C@H](Cc2cccnc2)C(=O)NCC2(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C25H25N5O4/c31-23(27-17-25(12-13-25)19-6-2-1-3-7-19)22(15-18-5-4-14-26-16-18)29-24(32)28-20-8-10-21(11-9-20)30(33)34/h1-11,14,16,22H,12-13,15,17H2,(H,27,31)(H2,28,29,32)/t22-/m1/s1
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| InChIKey |
QLYDQQVNJKMVGM-JOCHJYFZSA-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