General Information of the Compound
| Compound ID |
CP0519478
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| Compound Name |
US9266876, 10
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| Structure |
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| Formula |
C20H22N8OS
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| Molecular Weight |
422.518
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| Canonical SMILES |
Cc1nc(C)n(CC(=O)N2CCN(CC2)c2scnc2-c2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C20H22N8OS/c1-13-22-14(2)28(25-13)11-17(29)26-7-9-27(10-8-26)20-18(21-12-30-20)19-23-15-5-3-4-6-16(15)24-19/h3-6,12H,7-11H2,1-2H3,(H,23,24)
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| InChIKey |
PIAVMUPNSMEUGB-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