General Information of the Compound
| Compound ID |
CP0559373
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| Compound Name |
US9212153, 459,Ex. 393
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| Structure |
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| Formula |
C22H22N4O3S
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| Molecular Weight |
422.51
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CC21CCS(=O)(=O)CC1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C22H22N4O3S/c1-26-20(24)25-22(29-26)19-12-17(16-4-2-3-15(11-16)14-23)5-6-18(19)13-21(22)7-9-30(27,28)10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H2,24,25)
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| InChIKey |
MFJIREKODWHOPB-UHFFFAOYSA-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