General Information of the Compound
| Compound ID |
CP0518765
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| Compound Name |
US9266869, 7
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| Structure |
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| Formula |
C21H20N6O3S
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| Molecular Weight |
436.497
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| Canonical SMILES |
Cn1ccnc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S(C)(C)=O
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| InChI |
InChI=1S/C21H20N6O3S/c1-27-10-9-23-19(27)21(29)25-17-6-4-5-14(11-17)7-8-15-12-16(13-24-18(15)22)20(28)26-31(2,3)30/h4-6,9-13H,1-3H3,(H2,22,24)(H,25,29)
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| InChIKey |
GXBVXYVVNHJNFV-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