General Information of the Compound
| Compound ID |
CP0566264
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| Compound Name |
US10435369, Example 35
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| Structure |
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| Formula |
C27H23F10NO3S
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| Molecular Weight |
631.532
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@H]([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)NC1CC(F)(F)C1
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| InChI |
InChI=1S/C27H23F10NO3S/c28-16-3-5-18(6-4-16)42(40,41)24-10-9-19(22(39)38-17-12-23(29,30)13-17)21(24)7-1-14-11-15(2-8-20(14)24)25(31,26(32,33)34)27(35,36)37/h2-6,8,11,17,19,21H,1,7,9-10,12-13H2,(H,38,39)/t19-,21+,24-/m1/s1
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| InChIKey |
QCQJVASKZWHKBC-NHCICSSKSA-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