General Information of the Compound
| Compound ID |
CP0419273
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| Compound Name |
US9434725, 151
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| Structure |
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| Formula |
C21H22N8O
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| Molecular Weight |
402.462
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| Canonical SMILES |
CCn1cncc(-c2cc3n(ncc3cn2)-c2cccc(n2)N2CCNCC2)c1=O
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| InChI |
InChI=1S/C21H22N8O/c1-2-27-14-23-13-16(21(27)30)17-10-18-15(11-24-17)12-25-29(18)20-5-3-4-19(26-20)28-8-6-22-7-9-28/h3-5,10-14,22H,2,6-9H2,1H3
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| InChIKey |
AWFOXFITUCSTPY-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