General Information of the Compound
| Compound ID |
CP0493165
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| Compound Name |
US9266876, 147
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| Structure |
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| Formula |
C24H20ClF3N8OS
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| Molecular Weight |
560.993
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2cc(Cl)ccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C24H20ClF3N8OS/c1-13-10-34(7-8-36(13)18(37)11-35-12-30-16-3-2-6-29-21(16)35)22-19(33-23(38-22)24(26,27)28)20-31-15-5-4-14(25)9-17(15)32-20/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,31,32)/t13-/m1/s1
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| InChIKey |
GKGKGFDQVXICKG-CYBMUJFWSA-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