General Information of the Compound
| Compound ID |
CP0514528
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| Compound Name |
Benzyl 1-(3-acetoxypropyl)-5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C35H45N3O6
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| Molecular Weight |
603.76
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| Canonical SMILES |
CC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(CCCOC(C)=O)C(C)=C1C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C35H45N3O6/c1-23-32(34(41)37-30(20-27-12-7-5-8-13-27)31(40)21-36-29-16-17-29)24(2)38(18-11-19-43-26(4)39)25(3)33(23)35(42)44-22-28-14-9-6-10-15-28/h5-10,12-15,23,29-31,36,40H,11,16-22H2,1-4H3,(H,37,41)/t23?,30-,31+/m0/s1
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| InChIKey |
MJTFMNRKYZIKMT-DFVJNAHYSA-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