General Information of the Compound
| Compound ID |
CP0215238
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| Compound Name |
(R)-3-(4-(3-(1-(5-chloro-3-methylbenzo[b]thiophene-2-carboxamido)ethyl)-5-fluorophenoxy)-2-ethylphenyl)propanoic acid
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| Structure |
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| Formula |
C29H27ClFNO4S
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| Molecular Weight |
540.056
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| Canonical SMILES |
CCc1cc(Oc2cc(F)cc(c2)[C@@H](C)NC(=O)c2sc3ccc(Cl)cc3c2C)ccc1CCC(O)=O
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| InChI |
InChI=1S/C29H27ClFNO4S/c1-4-18-12-23(8-5-19(18)6-10-27(33)34)36-24-13-20(11-22(31)15-24)17(3)32-29(35)28-16(2)25-14-21(30)7-9-26(25)37-28/h5,7-9,11-15,17H,4,6,10H2,1-3H3,(H,32,35)(H,33,34)/t17-/m1/s1
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| InChIKey |
WQCJKMGDGUHOFD-QGZVFWFLSA-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