General Information of the Compound
| Compound ID |
CP0567689
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| Compound Name |
US9266876, 198
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| Structure |
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| Formula |
C23H22F3N7O3S
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| Molecular Weight |
533.536
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| Canonical SMILES |
COC(=O)c1ccn(CC(=O)N2CCN(C[C@H]2C)c2sc(nc2-c2nc3ccccc3[nH]2)C(F)(F)F)n1
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| InChI |
InChI=1S/C23H22F3N7O3S/c1-13-11-31(9-10-33(13)17(34)12-32-8-7-16(30-32)21(35)36-2)20-18(29-22(37-20)23(24,25)26)19-27-14-5-3-4-6-15(14)28-19/h3-8,13H,9-12H2,1-2H3,(H,27,28)/t13-/m1/s1
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| InChIKey |
ZXNXNNGNEOZCNM-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