General Information of the Compound
| Compound ID |
CP0910341
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| Compound Name |
trans-N4-benzyl-N1,N1-dimethyl-1-phenylcyclohexane-1,4-diamine dihydrochloride
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| Formula |
C21H30Cl2N2
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| Molecular Weight |
381.391
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| Canonical SMILES |
CN(C)[C@]1(c2ccccc2)CC[C@@H](NCc2ccccc2)CC1.Cl.Cl
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| InChI |
InChI=1S/C21H28N2.2ClH/c1-23(2)21(19-11-7-4-8-12-19)15-13-20(14-16-21)22-17-18-9-5-3-6-10-18;;/h3-12,20,22H,13-17H2,1-2H3;2*1H/t20-,21-;;
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| InChIKey |
NBQQDZBPBMNOJF-OPPVHOIFSA-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor