General Information of the Compound
| Compound ID |
CP0895918
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| Compound Name |
1-cyclohexylmethyl-3-(4-fluorobenzyl)-1-{2-[3-endo-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}urea
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| Formula |
C30H40FN3O2
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| Molecular Weight |
493.667
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| Canonical SMILES |
O=C(NCc1ccc(F)cc1)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)CC1CCCCC1
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| InChI |
InChI=1S/C30H40FN3O2/c31-26-11-9-22(10-12-26)20-32-30(36)33(21-23-5-2-1-3-6-23)15-16-34-27-13-14-28(34)18-25(17-27)24-7-4-8-29(35)19-24/h4,7-12,19,23,25,27-28,35H,1-3,5-6,13-18,20-21H2,(H,32,36)/t25-,27+,28-
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| InChIKey |
ACKHRYKHXKZRGF-SMOJVJMMSA-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