General Information of the Compound
| Compound ID |
CP0487885
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| Compound Name |
(R)-2-(1-((1-(3-(2-(5,7-dihydrothieno[3,4-b]pyridin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propylthio)methyl)cyclopropyl)acetic acid
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| Structure |
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| Formula |
C33H37NO3S2
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| Molecular Weight |
559.797
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| Canonical SMILES |
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CSCc3n2)c1
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| InChI |
InChI=1S/C33H37NO3S2/c1-32(2,37)28-9-4-3-7-24(28)12-15-30(39-22-33(16-17-33)19-31(35)36)25-8-5-6-23(18-25)10-13-27-14-11-26-20-38-21-29(26)34-27/h3-11,13-14,18,30,37H,12,15-17,19-22H2,1-2H3,(H,35,36)/b13-10+/t30-/m1/s1
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| InChIKey |
IISZUJHNGQJOEV-SZNWCZRISA-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