General Information of the Compound
| Compound ID |
CP0066961
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| Compound Name |
2-[[1-[4-(2,4-dichlorophenyl)phenyl]cyclobutyl]-[4-(difluoromethoxy)phenyl]sulfonylamino]acetic acid
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| Structure |
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| Formula |
C25H21Cl2F2NO5S
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| Molecular Weight |
556.414
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| Canonical SMILES |
OC(=O)CN(C1(CCC1)c1ccc(cc1)-c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(OC(F)F)cc1
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| InChI |
InChI=1S/C25H21Cl2F2NO5S/c26-18-6-11-21(22(27)14-18)16-2-4-17(5-3-16)25(12-1-13-25)30(15-23(31)32)36(33,34)20-9-7-19(8-10-20)35-24(28)29/h2-11,14,24H,1,12-13,15H2,(H,31,32)
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| InChIKey |
VHGKQLHJJUPOCF-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