General Information of the Compound
| Compound ID |
CP0075587
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| Compound Name |
US10273259, Example 12
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| Structure |
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| Formula |
C31H29F8NO5S
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| Molecular Weight |
679.626
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| Canonical SMILES |
OC(=O)C12CCC(CC1)(CC2)C(=O)N1CC[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/C31H29F8NO5S/c32-20-3-5-21(6-4-20)46(44,45)28-15-16-40(24(41)26-9-12-27(13-10-26,14-11-26)25(42)43)23(28)8-1-18-17-19(2-7-22(18)28)29(33,30(34,35)36)31(37,38)39/h2-7,17,23H,1,8-16H2,(H,42,43)/t23-,26?,27?,28-/m1/s1
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| InChIKey |
FLJYXIWKPNZXTJ-LJJHVHFXSA-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