General Information of the Compound
| Compound ID |
CP0491119
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| Compound Name |
US8846929, 359
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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]3CCCC[C@@H](C2)N3C2CCCCC\C=C/2)c1=O
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| InChI |
InChI=1S/C26H33N3O3/c30-25-24(26(31)32)27-22-14-8-9-15-23(22)29(25)21-16-19-12-6-7-13-20(17-21)28(19)18-10-4-2-1-3-5-11-18/h4,8-10,14-15,18-21H,1-3,5-7,11-13,16-17H2,(H,31,32)/b10-4-/t18?,19-,20+,21+
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| InChIKey |
VHLVGONNKUQDOU-FOMLOCSZSA-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