General Information of the Compound
| Compound ID |
CP0555859
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| Compound Name |
US10435369, Example 68
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| Structure |
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| Formula |
C28H25F10NO3S
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| Molecular Weight |
645.559
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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)NC1CCC(F)(F)C1
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| InChI |
InChI=1S/C28H25F10NO3S/c29-17-3-5-19(6-4-17)43(41,42)25-12-10-20(23(40)39-18-9-11-24(30,31)14-18)22(25)7-1-15-13-16(2-8-21(15)25)26(32,27(33,34)35)28(36,37)38/h2-6,8,13,18,20,22H,1,7,9-12,14H2,(H,39,40)/t18?,20-,22+,25-/m1/s1
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| InChIKey |
JHHDINUQADWLSR-QVAYSRPASA-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