General Information of the Compound
| Compound ID |
CP0492188
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| Compound Name |
(2S)-N-(4-benzylphenyl)-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxypropanamide
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| Structure |
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| Formula |
C28H28N4O3
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| Molecular Weight |
468.557
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| Canonical SMILES |
O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Cc2ccccc2)cc1
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| InChI |
InChI=1S/C28H28N4O3/c33-27(16-25-17-29-20-30-25)32-26(19-35-18-23-9-5-2-6-10-23)28(34)31-24-13-11-22(12-14-24)15-21-7-3-1-4-8-21/h1-14,17,20,26H,15-16,18-19H2,(H,29,30)(H,31,34)(H,32,33)/t26-/m0/s1
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| InChIKey |
DKGSDPRVKABEPA-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