General Information of the Compound
| Compound ID |
CP0374847
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| Compound Name |
4-(3-Bromo-5-methyl-benzyloxymethyl)-4-phenyl-piperidine
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| Structure |
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| Formula |
C20H24BrNO
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| Molecular Weight |
374.322
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| Canonical SMILES |
Cc1cc(Br)cc(COCC2(CCNCC2)c2ccccc2)c1
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| InChI |
InChI=1S/C20H24BrNO/c1-16-11-17(13-19(21)12-16)14-23-15-20(7-9-22-10-8-20)18-5-3-2-4-6-18/h2-6,11-13,22H,7-10,14-15H2,1H3
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| InChIKey |
SSQGNSUWMMJHRK-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