General Information of the Compound
| Compound ID |
CP0478850
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| Compound Name |
US9145408, 369
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| Structure |
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| Formula |
C26H34N4O3
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| Molecular Weight |
450.583
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| Canonical SMILES |
N[C@]12CCC[C@H](C[C@@H](C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CC2CCCC(C2)C1
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| InChI |
InChI=1S/C26H34N4O3/c27-26-10-4-7-18(30(26)19-12-16-5-3-6-17(11-16)13-19)14-20(15-26)29-22-9-2-1-8-21(22)28-23(24(29)31)25(32)33/h1-2,8-9,16-20H,3-7,10-15,27H2,(H,32,33)/t16?,17?,18-,19?,20+,26+/m1/s1
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| InChIKey |
HOWIQHYXNHBQBA-JHITZODSSA-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
Protein ID: PT02466, Opioid growth factor receptor-like protein 1