General Information of the Compound
| Compound ID |
CP0837174
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| Compound Name |
Trans-2',3',4',9'-Tetrahydro-N,N-dimethyl-4-phenyl-spiro[cyclohexane-1,1'-pyrido[3,4-b]indol]-4-amine Dihydrochloride
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| Formula |
C24H30ClN3
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| Molecular Weight |
395.978
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| Canonical SMILES |
CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)NCCc1c3ccccc3[nH]c12.Cl
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| InChI |
InChI=1S/C24H29N3.ClH/c1-27(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)26-22;/h3-11,25-26H,12-17H2,1-2H3;1H/t23-,24-;
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| InChIKey |
RUYCAYIZLOVUHR-FBGQUBCLSA-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