General Information of the Compound
| Compound ID |
CP0558395
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| Compound Name |
US10435369, Example 133
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| Structure |
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| Formula |
C24H21F8NO4S
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| Molecular Weight |
571.486
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| Canonical SMILES |
OCC(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H21F8NO4S/c25-15-3-5-16(6-4-15)38(36,37)21-10-9-19(33-20(35)12-34)18(21)7-1-13-11-14(2-8-17(13)21)22(26,23(27,28)29)24(30,31)32/h2-6,8,11,18-19,34H,1,7,9-10,12H2,(H,33,35)/t18-,19+,21+/m0/s1
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| InChIKey |
UXPXBHXKLNFAJO-QKNQBKEWSA-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