General Information of the Compound
| Compound ID |
CP0205889
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| Compound Name |
US8476271, 19
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| Formula |
C26H33N3O3
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| Molecular Weight |
435.568
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| Canonical SMILES |
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O
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| InChI |
InChI=1S/C26H33N3O3/c30-24-23(25(31)32)27-21-10-1-2-11-22(21)28(24)20-14-18-8-3-9-19(15-20)29(18)26-12-4-6-17(16-26)7-5-13-26/h1-2,10-11,17-20H,3-9,12-16H2,(H,31,32)/t17?,18-,19+,20+,26?
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| InChIKey |
HQRWWKRMPLZJMJ-YHSYXWOYSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor