General Information of the Compound
| Compound ID |
CP0575356
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| Compound Name |
1-(6-bromo-4-chloroquinolin-3-yl)-3-(3-chloro-4-methoxyphenyl)urea
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| Formula |
C17H12BrCl2N3O2
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| Molecular Weight |
441.112
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2cnc3ccc(Br)cc3c2Cl)cc1Cl
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| InChI |
InChI=1S/C17H12BrCl2N3O2/c1-25-15-5-3-10(7-12(15)19)22-17(24)23-14-8-21-13-4-2-9(18)6-11(13)16(14)20/h2-8H,1H3,(H2,22,23,24)
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| InChIKey |
MJYSGBOYXWSQKH-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