General Information of the Compound
| Compound ID |
CP0484556
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| Compound Name |
(1-{(R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-[3-((E)-2-thieno[3,2-b]pyridin-5-yl-vinyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
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| Structure |
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| Formula |
C33H35NO3S2
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| Molecular Weight |
557.781
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| Canonical SMILES |
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3sccc3n2)c1
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| InChI |
InChI=1S/C33H35NO3S2/c1-32(2,37)27-9-4-3-7-24(27)11-14-29(39-22-33(17-18-33)21-31(35)36)25-8-5-6-23(20-25)10-12-26-13-15-30-28(34-26)16-19-38-30/h3-10,12-13,15-16,19-20,29,37H,11,14,17-18,21-22H2,1-2H3,(H,35,36)/b12-10+/t29-/m1/s1
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| InChIKey |
ALCIWBPDUXMXBZ-KSGUIJNZSA-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