General Information of the Compound
| Compound ID |
CP0491118
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| Compound Name |
US8846929, 323
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| Formula |
C25H31N3O3
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| Molecular Weight |
421.541
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| Canonical SMILES |
CCC(C#CC(C)(C)C)N1[C@H]2CC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O
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| InChI |
InChI=1S/C25H31N3O3/c1-5-16(12-13-25(2,3)4)27-17-10-11-18(27)15-19(14-17)28-21-9-7-6-8-20(21)26-22(23(28)29)24(30)31/h6-9,16-19H,5,10-11,14-15H2,1-4H3,(H,30,31)/t16?,17-,18+,19+
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| InChIKey |
UKKHXKLZKFACGY-MUJWBSBOSA-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