General Information of the Compound
| Compound ID |
CP0377132
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| Compound Name |
3-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-quinolin-8-ylpropanamide
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| Structure |
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| Formula |
C26H29N3O2
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| Molecular Weight |
415.537
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| Canonical SMILES |
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2cccnc12
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| InChI |
InChI=1S/C26H29N3O2/c1-17-23-15-19-8-9-20(30)16-21(19)26(17,2)11-14-29(23)13-10-24(31)28-22-7-3-5-18-6-4-12-27-25(18)22/h3-9,12,16-17,23,30H,10-11,13-15H2,1-2H3,(H,28,31)/t17-,23+,26+/m0/s1
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| InChIKey |
WSKHGCYGBCHSOE-UIIQVKDUSA-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: PT01526, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor