General Information of the Compound
| Compound ID |
CP0888228
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| Compound Name |
trans-N4-(2-(5-fluoro-1H-indol-3-yl)ethyl)-N1,N1-dimethyl-1-phenylcyclohexane-1,4-diamine dihydrochloride
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| Formula |
C24H32Cl2FN3
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| Molecular Weight |
452.445
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| Canonical SMILES |
CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2c[nH]c3ccc(F)cc23)CC1.Cl.Cl
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| InChI |
InChI=1S/C24H30FN3.2ClH/c1-28(2)24(19-6-4-3-5-7-19)13-10-21(11-14-24)26-15-12-18-17-27-23-9-8-20(25)16-22(18)23;;/h3-9,16-17,21,26-27H,10-15H2,1-2H3;2*1H/t21-,24-;;
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| InChIKey |
ZWAUCSZYTUGMNU-ICUYOSJYSA-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