General Information of the Compound
| Compound ID |
CP0061346
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| Compound Name |
US8829199, 74
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| Structure |
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| Formula |
C26H20N6O
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| Molecular Weight |
432.49
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| Canonical SMILES |
Cc1nc2ccc(cc2n1)-n1ncc(C(=O)c2cc3ccc(cc3[nH]2)-c2ccccc2)c1N
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| InChI |
InChI=1S/C26H20N6O/c1-15-29-21-10-9-19(13-23(21)30-15)32-26(27)20(14-28-32)25(33)24-12-18-8-7-17(11-22(18)31-24)16-5-3-2-4-6-16/h2-14,31H,27H2,1H3,(H,29,30)
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| InChIKey |
AQWDWTGCVNYFBN-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