General Information of the Compound
| Compound ID |
CP0129226
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| Compound Name |
US8575201, 63
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| Structure |
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| Formula |
C20H20N8O
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| Molecular Weight |
388.435
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| Canonical SMILES |
CCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C20H20N8O/c1-2-28-12-14(10-25-28)17-26-18(27-29-17)20(6-3-7-20)15-4-5-16(22-11-15)13-8-23-19(21)24-9-13/h4-5,8-12H,2-3,6-7H2,1H3,(H2,21,23,24)
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| InChIKey |
YMKBRMVJKNLMCP-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