General Information of the Compound
| Compound ID |
CP0233623
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| Compound Name |
methyl N-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]carbamate
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| Structure |
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| Formula |
C21H24BrClN2O3
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| Molecular Weight |
467.791
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| Canonical SMILES |
COC(=O)NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C21H24BrClN2O3/c1-27-21(26)24-19-8-10-25(11-9-19)13-16-12-17(22)4-7-20(16)28-14-15-2-5-18(23)6-3-15/h2-7,12,19H,8-11,13-14H2,1H3,(H,24,26)
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| InChIKey |
AYIBIKRCBZSMCC-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