General Information of the Compound
| Compound ID |
CP0550234
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| Compound Name |
2-[4-chloro-2-(1,1-difluoroethyl)phenyl]-3-[4-[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenoxy]-1-benzothiophene-6-carboxylic acid
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| Structure |
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| Formula |
C30H27ClF3NO4S
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| Molecular Weight |
590.063
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| Canonical SMILES |
CC(F)(F)c1cc(Cl)ccc1-c1sc2cc(ccc2c1Oc1ccc(O[C@@H]2CCN(CCCF)C2)cc1)C(O)=O
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| InChI |
InChI=1S/C30H27ClF3NO4S/c1-30(33,34)25-16-19(31)4-10-23(25)28-27(24-9-3-18(29(36)37)15-26(24)40-28)39-21-7-5-20(6-8-21)38-22-11-14-35(17-22)13-2-12-32/h3-10,15-16,22H,2,11-14,17H2,1H3,(H,36,37)/t22-/m1/s1
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| InChIKey |
CEZKNQRWRHBGHD-JOCHJYFZSA-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