General Information of the Compound
| Compound ID |
CP0544609
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| Compound Name |
4-[4-[(1R,2S,4R)-5-methylsulfonyl-2-bicyclo[2.2.1]heptanyl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C32H27F3O4S
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| Molecular Weight |
564.625
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| Canonical SMILES |
CS(=O)(=O)C1C[C@H]2C[C@@H]1C[C@@H]2c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C32H27F3O4S/c1-40(38,39)30-17-23-13-24(30)15-28(23)19-2-4-20(5-3-19)29-16-25(31(36)37)14-22-12-21(8-11-27(22)29)18-6-9-26(10-7-18)32(33,34)35/h2-12,14,16,23-24,28,30H,13,15,17H2,1H3,(H,36,37)/t23-,24-,28-,30?/m1/s1
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| InChIKey |
SDBDMKBHEWQXLQ-OKKLLPQHSA-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
Protein ID: PT05244, P2Y purinoceptor 14
Protein ID: PT05434, P2Y purinoceptor 14