General Information of the Compound
| Compound ID |
CP0483233
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| Compound Name |
US9434725, 273
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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 |
OCc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
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| InChI |
InChI=1S/C20H20N8O/c29-13-15-11-22-12-17(25-15)16-8-18-14(9-23-16)10-24-28(18)20-3-1-2-19(26-20)27-6-4-21-5-7-27/h1-3,8-12,21,29H,4-7,13H2
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| InChIKey |
PBVKOULOPAMXJJ-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