General Information of the Compound
| Compound ID |
CP0413509
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| Compound Name |
US9422293, 135
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| Structure |
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| Formula |
C24H26F3N5S
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| Molecular Weight |
473.568
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| Canonical SMILES |
CSc1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)C(C)C)cc1
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| InChI |
InChI=1S/C24H26F3N5S/c1-15(2)21-30-20-11-14-32(23-19(24(25,26)27)5-4-12-28-23)13-10-18(20)22(31-21)29-16-6-8-17(33-3)9-7-16/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,29,30,31)
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| InChIKey |
WVVYXMJDFDYYKA-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