General Information of the Compound
| Compound ID |
CP0560034
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| Compound Name |
US9365558, 40
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| Structure |
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| Formula |
C27H32F3N3O4S2
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| Molecular Weight |
583.698
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| Canonical SMILES |
CCCCCCCc1cnc(s1)[C@@]1(CC(=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)c1ccc(C)cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H32F3N3O4S2/c1-3-4-5-6-7-8-19-16-31-25(38-19)26(27(28,29)30)15-21(18-11-9-17(2)10-12-18)22(23(34)32-26)24(35)33-39(36,37)20-13-14-20/h9-12,16,20H,3-8,13-15H2,1-2H3,(H,32,34)(H,33,35)/t26-/m0/s1
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| InChIKey |
BCXYDHWBBMMGII-SANMLTNESA-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