General Information of the Compound
| Compound ID |
CP0512734
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| Compound Name |
US9233953, 151
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| Structure |
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| Formula |
C22H25F3N4O3S2
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| Molecular Weight |
514.595
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| Canonical SMILES |
FC(F)(F)c1cnc(nc1)N1CCN(C(C1)c1ccc(s1)C1CC1)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C22H25F3N4O3S2/c23-22(24,25)16-11-26-21(27-12-16)28-7-8-29(20(30)15-5-9-34(31,32)10-6-15)17(13-28)19-4-3-18(33-19)14-1-2-14/h3-4,11-12,14-15,17H,1-2,5-10,13H2
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| InChIKey |
XTIBQJHCKWFCMK-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