General Information of the Compound
| Compound ID |
CP0930853
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| Compound Name |
3-endo-(8-{2-[(2-aminoacetyl)-cyclohexylmethyl-amino]ethyl}-8-aza-bicyclo[3.2.1]oct-3-yl)benzamide
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| Formula |
C25H38N4O2
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| Molecular Weight |
426.605
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| Canonical SMILES |
NCC(=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/C25H38N4O2/c26-16-24(30)28(17-18-5-2-1-3-6-18)11-12-29-22-9-10-23(29)15-21(14-22)19-7-4-8-20(13-19)25(27)31/h4,7-8,13,18,21-23H,1-3,5-6,9-12,14-17,26H2,(H2,27,31)/t21-,22+,23-
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| InChIKey |
SDABLGBNGOUDRZ-NUNAXRQHSA-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