General Information of the Compound
| Compound ID |
CP0906040
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| Compound Name |
3-endo-{8-[2-(cyclohexylmethyl-phenylacetylamino)-ethyl]-8-azabicyclo[3.2.1]oct-3-yl}benzamide
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| Formula |
C31H41N3O2
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| Molecular Weight |
487.688
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| Canonical SMILES |
NC(=O)c1cccc([C@H]2C[C@H]3CC[C@@H](C2)N3CCN(CC2CCCCC2)C(=O)Cc2ccccc2)c1
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| InChI |
InChI=1S/C31H41N3O2/c32-31(36)26-13-7-12-25(19-26)27-20-28-14-15-29(21-27)34(28)17-16-33(22-24-10-5-2-6-11-24)30(35)18-23-8-3-1-4-9-23/h1,3-4,7-9,12-13,19,24,27-29H,2,5-6,10-11,14-18,20-22H2,(H2,32,36)/t27-,28+,29-
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| InChIKey |
KRYGUOCLLPMUCV-PKQPGRETSA-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