General Information of the Compound
| Compound ID |
CP0191378
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| Compound Name |
4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C19H22BrN3O3
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| Molecular Weight |
420.307
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| Canonical SMILES |
COc1cc(Br)cc(CN2CCN(CC2)C(=O)Nc2ccccc2)c1O
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| InChI |
InChI=1S/C19H22BrN3O3/c1-26-17-12-15(20)11-14(18(17)24)13-22-7-9-23(10-8-22)19(25)21-16-5-3-2-4-6-16/h2-6,11-12,24H,7-10,13H2,1H3,(H,21,25)
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| InChIKey |
OTTYIWVAUNQAOB-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