General Information of the Compound
| Compound ID |
CP0878599
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| Compound Name |
SID74373550
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| Structure |
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| Formula |
C22H19Br2N3O
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| Molecular Weight |
501.222
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| Canonical SMILES |
Br.N=c1n(CC(=O)c2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1
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| InChI |
InChI=1S/C22H18BrN3O.BrH/c23-18-12-10-17(11-13-18)21(27)15-26-20-9-5-4-8-19(20)25(22(26)24)14-16-6-2-1-3-7-16;/h1-13,24H,14-15H2;1H
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| InChIKey |
NUUCTKYZEGKTHS-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