General Information of the Compound
| Compound ID |
CP0469755
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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]-2,4-dimethyl-4H-pyridin-1-yl]acetate
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| Structure |
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| Formula |
C33H43N3O6
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| Molecular Weight |
577.722
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C2=CN(CC(=O)OC(C)C)C(C)=C(C2C)C(C)=O)c1
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| InChI |
InChI=1S/C33H43N3O6/c1-21(2)42-31(39)20-36-19-28(22(3)32(23(36)4)24(5)37)33(40)35-29(16-25-11-8-7-9-12-25)30(38)18-34-17-26-13-10-14-27(15-26)41-6/h7-15,19,21-22,29-30,34,38H,16-18,20H2,1-6H3,(H,35,40)/t22?,29-,30+/m0/s1
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| InChIKey |
OCFFIGQYGKBNEY-CTIJWOEKSA-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