General Information of the Compound
| Compound ID |
CP0471179
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| Compound Name |
US8680275, 13
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| Structure |
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| Formula |
C21H19BrN4O
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| Molecular Weight |
423.314
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| Canonical SMILES |
Brc1ccccc1C(=O)N1CCC2CN(C2C1)c1cnc2ccccc2n1
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| InChI |
InChI=1S/C21H19BrN4O/c22-16-6-2-1-5-15(16)21(27)25-10-9-14-12-26(19(14)13-25)20-11-23-17-7-3-4-8-18(17)24-20/h1-8,11,14,19H,9-10,12-13H2
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| InChIKey |
GZIRHUBRAHLBCA-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