General Information of the Compound
| Compound ID |
CP0505761
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| Compound Name |
Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-2,4,6-trimethyl-1-(2-morpholino-2-oxoethyl)-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C36H46N4O6
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| Molecular Weight |
630.786
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| Canonical SMILES |
CC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(CC(=O)N2CCOCC2)C(C)=C1C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C36H46N4O6/c1-24-33(35(43)38-30(20-27-10-6-4-7-11-27)31(41)21-37-29-14-15-29)25(2)40(22-32(42)39-16-18-45-19-17-39)26(3)34(24)36(44)46-23-28-12-8-5-9-13-28/h4-13,24,29-31,37,41H,14-23H2,1-3H3,(H,38,43)/t24?,30-,31+/m0/s1
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| InChIKey |
PJFBTVXNTRSLPA-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