General Information of the Compound
| Compound ID |
CP0471270
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| Compound Name |
US9434725, 278
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| Structure |
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| Formula |
C21H22N8O2
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| Molecular Weight |
418.461
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| Canonical SMILES |
OCCOc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
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| InChI |
InChI=1S/C21H22N8O2/c30-8-9-31-21-14-23-13-17(26-21)16-10-18-15(11-24-16)12-25-29(18)20-3-1-2-19(27-20)28-6-4-22-5-7-28/h1-3,10-14,22,30H,4-9H2
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| InChIKey |
QWBBMEBGXUMEIM-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