General Information of the Compound
| Compound ID |
CP0366515
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| Compound Name |
1-[2-[6-[3-(difluoromethoxy)-5-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-2-yl]acetyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C28H22F6N2O6S
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| Molecular Weight |
628.547
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| Canonical SMILES |
OC(=O)C1CN(C1)C(=O)CC1Cc2ccc(cc2N1S(=O)(=O)c1cccc(c1)C(F)(F)F)-c1cc(F)cc(OC(F)F)c1
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| InChI |
InChI=1S/C28H22F6N2O6S/c29-20-6-17(8-22(11-20)42-27(30)31)15-4-5-16-7-21(12-25(37)35-13-18(14-35)26(38)39)36(24(16)9-15)43(40,41)23-3-1-2-19(10-23)28(32,33)34/h1-6,8-11,18,21,27H,7,12-14H2,(H,38,39)
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| InChIKey |
BTNSRJKPCAFXKD-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