General Information of the Compound
| Compound ID |
CP0903443
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| Compound Name |
rac-1-(5-Amino-2-methoxybenzyl)-3-(diphenylmethyl)piperidin-4-one dihydrochloride
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| Structure |
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| Formula |
C26H30Cl2N2O2
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| Molecular Weight |
473.444
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| Canonical SMILES |
COc1ccc(N)cc1CN1CCC(=O)C(C(c2ccccc2)c2ccccc2)C1.Cl.Cl
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| InChI |
InChI=1S/C26H28N2O2.2ClH/c1-30-25-13-12-22(27)16-21(25)17-28-15-14-24(29)23(18-28)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20;;/h2-13,16,23,26H,14-15,17-18,27H2,1H3;2*1H
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| InChIKey |
QHIYRJNKNLJHFI-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