General Information of the Compound
| Compound ID |
CP0531764
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| Compound Name |
US8846929, 327
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| Formula |
C31H43N5O5
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| Molecular Weight |
565.715
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| Canonical SMILES |
OC(=O)[C@@H]1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C[C@H]1C(O)=O
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| InChI |
InChI=1S/C31H43N5O5/c37-29-28(32-14-15-34-18-24(30(38)39)25(19-34)31(40)41)33-26-10-6-7-11-27(26)36(29)23-16-21-12-13-22(17-23)35(21)20-8-4-2-1-3-5-9-20/h6-7,10-11,20-25H,1-5,8-9,12-19H2,(H,32,33)(H,38,39)(H,40,41)/t21-,22+,23+,24-,25-/m1/s1
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| InChIKey |
DVRQZFBMXPPAIS-ZLOLNMDISA-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