General Information of the Compound
| Compound ID |
CP0468314
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| Compound Name |
2-[[3-[4-(3,5-dichlorophenyl)phenyl]oxolan-3-yl]-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]amino]acetic acid
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| Structure |
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| Formula |
C29H29Cl2NO6S
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| Molecular Weight |
590.525
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| Canonical SMILES |
CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)C1(CCOC1)c1ccc(cc1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C29H29Cl2NO6S/c1-28(2)10-9-20-15-25(7-8-26(20)38-28)39(35,36)32(17-27(33)34)29(11-12-37-18-29)22-5-3-19(4-6-22)21-13-23(30)16-24(31)14-21/h3-8,13-16H,9-12,17-18H2,1-2H3,(H,33,34)
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| InChIKey |
OLXMFKAKXAAVKQ-UHFFFAOYSA-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