General Information of the Compound
| Compound ID |
CP0560817
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| Compound Name |
US8680275, 54
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| Structure |
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| Formula |
C21H20N4O2
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| Molecular Weight |
360.417
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| Canonical SMILES |
COc1ccccc1C(=O)N1CC2CN(C2C1)c1cnc2ccccc2n1
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| InChI |
InChI=1S/C21H20N4O2/c1-27-19-9-5-2-6-15(19)21(26)24-11-14-12-25(18(14)13-24)20-10-22-16-7-3-4-8-17(16)23-20/h2-10,14,18H,11-13H2,1H3
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| InChIKey |
IWVIDALMACPDIX-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