General Information of the Compound
| Compound ID |
CP0918015
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| Compound Name |
1-(3-Aminomethyl-4-chloro-2-hydroxy-phenyl)-3-(2-bromo-phenyl)-urea hydrochloride
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| Structure |
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| Formula |
C14H14BrCl2N3O2
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| Molecular Weight |
407.095
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| Canonical SMILES |
Cl.NCc1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O
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| InChI |
InChI=1S/C14H13BrClN3O2.ClH/c15-9-3-1-2-4-11(9)18-14(21)19-12-6-5-10(16)8(7-17)13(12)20;/h1-6,20H,7,17H2,(H2,18,19,21);1H
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| InChIKey |
RRTPXQMDDQMPQL-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
Protein ID: PT01304, C-X-C chemokine receptor type 1
Protein ID: PT01013, C-X-C chemokine receptor type 2