General Information of the Compound
| Compound ID |
CP0559787
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| Compound Name |
US9266876, 199
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| Structure |
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| Formula |
C24H23F3N6OS
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| Molecular Weight |
500.55
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cc1ccc(C)nc1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C24H23F3N6OS/c1-14-7-8-16(12-28-14)11-19(34)33-10-9-32(13-15(33)2)22-20(31-23(35-22)24(25,26)27)21-29-17-5-3-4-6-18(17)30-21/h3-8,12,15H,9-11,13H2,1-2H3,(H,29,30)/t15-/m1/s1
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| InChIKey |
IWNLHWSFQQOHAB-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