General Information of the Compound
| Compound ID |
CP0561139
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| Compound Name |
US8802711, 55
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| Structure |
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| Formula |
C20H20N4O
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| Molecular Weight |
332.407
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| Canonical SMILES |
O=C(N[C@@H]1C[C@@H]([C@@H]2C[C@H]12)c1ccccc1)Nc1cccc2[nH]ncc12
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| InChI |
InChI=1S/C20H20N4O/c25-20(22-17-7-4-8-18-16(17)11-21-24-18)23-19-10-13(14-9-15(14)19)12-5-2-1-3-6-12/h1-8,11,13-15,19H,9-10H2,(H,21,24)(H2,22,23,25)/t13-,14+,15+,19-/m1/s1
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| InChIKey |
MNEYZABFWBZKLE-MMMWYMCRSA-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