General Information of the Compound
| Compound ID |
CP0421610
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| Compound Name |
Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-ethoxy-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C34H44N4O6
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| Molecular Weight |
604.748
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| Canonical SMILES |
CCOC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(=O)NOCc1ccccc1
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| InChI |
InChI=1S/C34H44N4O6/c1-5-43-30(40)20-38-23(3)31(22(2)32(24(38)4)34(42)37-44-21-26-14-10-7-11-15-26)33(41)36-28(18-25-12-8-6-9-13-25)29(39)19-35-27-16-17-27/h6-15,22,27-29,35,39H,5,16-21H2,1-4H3,(H,36,41)(H,37,42)/t22?,28-,29+/m0/s1
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| InChIKey |
YTKRBAXKPYDSRW-HJADWECZSA-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