General Information of the Compound
| Compound ID |
CP0088306
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| Compound Name |
CHEMBL4462790
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| Formula |
C30H30F7NO5S
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| Molecular Weight |
649.625
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CC[C@@H](CC1)C(O)=O
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| InChI |
InChI=1S/C30H30F7NO5S/c1-17-2-10-22(11-3-17)44(42,43)27-14-15-38(25(39)18-4-6-19(7-5-18)26(40)41)24(27)13-8-20-16-21(9-12-23(20)27)28(31,29(32,33)34)30(35,36)37/h2-3,9-12,16,18-19,24H,4-8,13-15H2,1H3,(H,40,41)/t18-,19-,24-,27-/m1/s1
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| InChIKey |
JDFDTUYICUVLET-FGXABTBTSA-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