General Information of the Compound
| Compound ID |
CP0490126
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| Compound Name |
US9266876, 174
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| Structure |
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| Formula |
C22H22F3N7OS
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| Molecular Weight |
489.527
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1ccc(C)n1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C22H22F3N7OS/c1-13-7-8-31(29-13)12-17(33)32-10-9-30(11-14(32)2)20-18(28-21(34-20)22(23,24)25)19-26-15-5-3-4-6-16(15)27-19/h3-8,14H,9-12H2,1-2H3,(H,26,27)/t14-/m1/s1
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| InChIKey |
QPJFRAKVXRLOOY-CQSZACIVSA-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