General Information of the Compound
| Compound ID |
CP0576939
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| Compound Name |
US9434725, 300
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| Structure |
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| Formula |
C22H20N8O
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| Molecular Weight |
412.457
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| Canonical SMILES |
OCC#Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
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| InChI |
InChI=1S/C22H20N8O/c31-10-2-3-17-14-24-15-19(27-17)18-11-20-16(12-25-18)13-26-30(20)22-5-1-4-21(28-22)29-8-6-23-7-9-29/h1,4-5,11-15,23,31H,6-10H2
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| InChIKey |
AZUDXPDVDQXJJH-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