General Information of the Compound
| Compound ID |
CP0451737
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| Compound Name |
4-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine
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| Structure |
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| Formula |
C23H29N3
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| Molecular Weight |
347.506
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| Canonical SMILES |
CN(C)C1(CCC(CC1)NCc1c[nH]c2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C23H29N3/c1-26(2)23(19-8-4-3-5-9-19)14-12-20(13-15-23)24-16-18-17-25-22-11-7-6-10-21(18)22/h3-11,17,20,24-25H,12-16H2,1-2H3
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| InChIKey |
SIMLFUJOTUODCL-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
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor