General Information of the Compound
| Compound ID |
CP0869176
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| Compound Name |
3-endo-(8-{2-[cyclohexylmethyl-(4-dimethylamino-butyryl)amino]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)benzamide
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| Formula |
C29H46N4O2
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| Molecular Weight |
482.713
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| Canonical SMILES |
CN(C)CCCC(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1
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| InChI |
InChI=1S/C29H46N4O2/c1-31(2)15-7-12-28(34)32(21-22-8-4-3-5-9-22)16-17-33-26-13-14-27(33)20-25(19-26)23-10-6-11-24(18-23)29(30)35/h6,10-11,18,22,25-27H,3-5,7-9,12-17,19-21H2,1-2H3,(H2,30,35)/t25-,26+,27-
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| InChIKey |
LJURCYNQRGISRL-LGKQTMLJSA-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: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor