General Information of the Compound
| Compound ID |
CP0509258
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| Compound Name |
Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-isopropoxy-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C35H46N4O6
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| Molecular Weight |
618.775
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| Canonical SMILES |
CC(C)OC(=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/C35H46N4O6/c1-22(2)45-31(41)20-39-24(4)32(23(3)33(25(39)5)35(43)38-44-21-27-14-10-7-11-15-27)34(42)37-29(18-26-12-8-6-9-13-26)30(40)19-36-28-16-17-28/h6-15,22-23,28-30,36,40H,16-21H2,1-5H3,(H,37,42)(H,38,43)/t23?,29-,30+/m0/s1
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| InChIKey |
AKIOKNCWTMXBTE-XSJQRQGXSA-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