General Information of the Compound
| Compound ID |
CP0512314
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| Compound Name |
US9340500, I-118
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| Structure |
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| Formula |
C23H32F3N3O3S
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| Molecular Weight |
487.588
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| Canonical SMILES |
Cc1c(cc(n1CCCN1CCOCC1)C(C)(C)C)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H32F3N3O3S/c1-17-20(33(30,31)27-19-8-5-7-18(15-19)23(24,25)26)16-21(22(2,3)4)29(17)10-6-9-28-11-13-32-14-12-28/h5,7-8,15-16,27H,6,9-14H2,1-4H3
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| InChIKey |
XXAZHTGYDXGYIS-UHFFFAOYSA-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