General Information of the Compound
| Compound ID |
CP0504357
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| Compound Name |
propan-2-yl 2-[3-acetyl-5-[[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]carbamoyl]-2,6-dimethyl-4-propyl-4H-pyridin-1-yl]acetate
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| Structure |
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| Formula |
C36H49N3O6
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| Molecular Weight |
619.803
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| Canonical SMILES |
CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
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| InChI |
InChI=1S/C36H49N3O6/c1-8-13-30-34(26(6)40)24(4)39(22-33(42)45-23(2)3)25(5)35(30)36(43)38-31(19-27-14-10-9-11-15-27)32(41)21-37-20-28-16-12-17-29(18-28)44-7/h9-12,14-18,23,30-32,37,41H,8,13,19-22H2,1-7H3,(H,38,43)/t30?,31-,32+/m0/s1
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| InChIKey |
TYNIQBHKVGZKJG-XXWVNBFBSA-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