General Information of the Compound
| Compound ID |
CP0559786
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| Compound Name |
US9266876, 192
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| Structure |
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| Formula |
C23H24F3N7OS
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| Molecular Weight |
503.554
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)cc1C)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C23H24F3N7OS/c1-13-10-14(2)33(30-13)12-18(34)32-9-8-31(11-15(32)3)21-19(29-22(35-21)23(24,25)26)20-27-16-6-4-5-7-17(16)28-20/h4-7,10,15H,8-9,11-12H2,1-3H3,(H,27,28)/t15-/m1/s1
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| InChIKey |
WJEJRGIYUYURNR-OAHLLOKOSA-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