General Information of the Compound
| Compound ID |
CP0864333
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| Compound Name |
3-endo-(8-{2-[cyclohexylmethyl-((S)-2-dimethylamino-3-phenyl-propionyl)amino]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)benzamide
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| Formula |
C34H48N4O2
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| Molecular Weight |
544.784
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| Canonical SMILES |
CN(C)[C@@H](Cc1ccccc1)C(=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/C34H48N4O2/c1-36(2)32(20-25-10-5-3-6-11-25)34(40)37(24-26-12-7-4-8-13-26)18-19-38-30-16-17-31(38)23-29(22-30)27-14-9-15-28(21-27)33(35)39/h3,5-6,9-11,14-15,21,26,29-32H,4,7-8,12-13,16-20,22-24H2,1-2H3,(H2,35,39)/t29-,30+,31-,32-/m0/s1
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| InChIKey |
LYEOVYPSPXYMAA-RACKDBBVSA-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