General Information of the Compound
| Compound ID |
CP0403901
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| Compound Name |
2-[(8S)-3-[3-[2-chloro-4-(3-methylsulfonylpropoxy)phenyl]-5-fluorophenyl]-2,3,7,8-tetrahydrofuro[2,3-g][1,4]benzodioxin-8-yl]acetic acid
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| Structure |
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| Formula |
C28H26ClFO8S
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| Molecular Weight |
577.026
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| Canonical SMILES |
CS(=O)(=O)CCCOc1ccc(c(Cl)c1)-c1cc(F)cc(c1)C1COc2cc3[C@H](CC(O)=O)COc3cc2O1
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| InChI |
InChI=1S/C28H26ClFO8S/c1-39(33,34)6-2-5-35-20-3-4-21(23(29)11-20)16-7-17(9-19(30)8-16)27-15-37-25-12-22-18(10-28(31)32)14-36-24(22)13-26(25)38-27/h3-4,7-9,11-13,18,27H,2,5-6,10,14-15H2,1H3,(H,31,32)/t18-,27?/m1/s1
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| InChIKey |
JGMXYJRCSVVJHM-XZATXCMXSA-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