General Information of the Compound
| Compound ID |
CP0866144
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| Compound Name |
3-endo-(8-{2-[cyclohexylmethyl-((S)-4-diethylamino-2-hydroxybutyryl)amino]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-benzamide
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| Formula |
C31H50N4O3
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| Molecular Weight |
526.766
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| Canonical SMILES |
CCN(CC)CC[C@H](O)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/C31H50N4O3/c1-3-33(4-2)16-15-29(36)31(38)34(22-23-9-6-5-7-10-23)17-18-35-27-13-14-28(35)21-26(20-27)24-11-8-12-25(19-24)30(32)37/h8,11-12,19,23,26-29,36H,3-7,9-10,13-18,20-22H2,1-2H3,(H2,32,37)/t26-,27+,28-,29-/m0/s1
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| InChIKey |
RTYFOBPAYIXQTJ-CRNKYVSFSA-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