General Information of the Compound
| Compound ID |
CP0484951
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| Compound Name |
US8772323, 138
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| Structure |
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| Formula |
C19H20N4O2
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| Molecular Weight |
336.395
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| Canonical SMILES |
O=C1CC(C2CC2)C(=NN1)N1CCc2nc(oc2C1)-c1ccccc1
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| InChI |
InChI=1S/C19H20N4O2/c24-17-10-14(12-6-7-12)18(22-21-17)23-9-8-15-16(11-23)25-19(20-15)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,21,24)
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| InChIKey |
XMLJYZYUTSLLKH-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