General Information of the Compound
| Compound ID |
CP0496286
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| Compound Name |
(1-{(R)-1-{3-[(E)-2-(2,3-Dichloro-thieno[3,2-b]pyridin-5-yl)-vinyl]-phenyl}-3-[2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
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| Structure |
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| Formula |
C33H27Cl2F6NO3S2
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| Molecular Weight |
734.611
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| Canonical SMILES |
OC(=O)CC1(CS[C@H](CCc2ccccc2C(O)(C(F)(F)F)C(F)(F)F)c2cccc(\C=C\c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1
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| InChI |
InChI=1S/C33H27Cl2F6NO3S2/c34-27-28-25(47-29(27)35)13-11-22(42-28)10-8-19-4-3-6-21(16-19)24(46-18-30(14-15-30)17-26(43)44)12-9-20-5-1-2-7-23(20)31(45,32(36,37)38)33(39,40)41/h1-8,10-11,13,16,24,45H,9,12,14-15,17-18H2,(H,43,44)/b10-8+/t24-/m1/s1
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| InChIKey |
PTQNWRHPFTVLJE-PVOYRIJTSA-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