General Information of the Compound
| Compound ID |
CP0545334
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| Compound Name |
(R)-2-(1-((3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(3-(2-(6-isopropyl-5-methylpyridin-2-yl)vinyl)phenyl)propylthio)methyl)cyclopropyl)acetic acid
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| Structure |
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| Formula |
C35H43NO3S
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| Molecular Weight |
557.8
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| Canonical SMILES |
CC(C)c1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)ccc1C
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| InChI |
InChI=1S/C35H43NO3S/c1-24(2)33-25(3)13-16-29(36-33)17-14-26-9-8-11-28(21-26)31(40-23-35(19-20-35)22-32(37)38)18-15-27-10-6-7-12-30(27)34(4,5)39/h6-14,16-17,21,24,31,39H,15,18-20,22-23H2,1-5H3,(H,37,38)/b17-14+/t31-/m1/s1
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| InChIKey |
BPSQDOLGQQVYNF-NSQLZQESSA-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