General Information of the Compound
| Compound ID |
CP0491008
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| Compound Name |
Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-(isopropyl(methyl)amino)-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C36H48N4O5
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| Molecular Weight |
616.803
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| Canonical SMILES |
CC(C)N(C)C(=O)CN1C(C)=C(C(C)C(C(=O)OCc2ccccc2)=C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1
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| InChI |
InChI=1S/C36H48N4O5/c1-23(2)39(6)32(42)21-40-25(4)33(24(3)34(26(40)5)36(44)45-22-28-15-11-8-12-16-28)35(43)38-30(19-27-13-9-7-10-14-27)31(41)20-37-29-17-18-29/h7-16,23-24,29-31,37,41H,17-22H2,1-6H3,(H,38,43)/t24?,30-,31+/m0/s1
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| InChIKey |
CMNBTLFYHWUMQQ-VHHLQSIKSA-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