General Information of the Compound
| Compound ID |
CP0488790
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| Compound Name |
US8987445, 221
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| Structure |
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| Formula |
C28H22F6N2O5S
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| Molecular Weight |
612.548
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| Canonical SMILES |
COC(c1ccc(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(cc2)C(O)=O)cc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H22F6N2O5S/c1-17-23-6-4-3-5-20(23)15-35-24(17)36(42(39,40)22-13-9-19(10-14-22)25(37)38)16-18-7-11-21(12-8-18)26(41-2,27(29,30)31)28(32,33)34/h3-15H,16H2,1-2H3,(H,37,38)
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| InChIKey |
VBSSIHWIIXNRLR-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