General Information of the Compound
| Compound ID |
CP0521626
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| Compound Name |
7-[(3-bromo-4-hydroxy-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-chloroquinolin-8-ol
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| Structure |
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| Formula |
C22H17BrClN3O3
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| Molecular Weight |
486.753
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| Canonical SMILES |
COc1cc(cc(Br)c1O)C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
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| InChI |
InChI=1S/C22H17BrClN3O3/c1-30-17-10-12(9-15(23)22(17)29)19(27-18-6-2-3-7-25-18)14-11-16(24)13-5-4-8-26-20(13)21(14)28/h2-11,19,28-29H,1H3,(H,25,27)
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| InChIKey |
WSPTWHGPLHCGCH-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