General Information of the Compound
| Compound ID |
CP0350873
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| Compound Name |
CHEMBL1223872
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| Formula |
C25H38N4O3
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| Molecular Weight |
442.604
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| Canonical SMILES |
CN(C)C(=O)N[C@@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1
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| InChI |
InChI=1S/C25H38N4O3/c1-28(2)25(31)27-19-8-6-17(7-9-19)12-13-29-20-10-11-21(29)16-23(15-20)32-22-5-3-4-18(14-22)24(26)30/h3-5,14,17,19-21,23H,6-13,15-16H2,1-2H3,(H2,26,30)(H,27,31)/t17-,19+,20-,21+,23+
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| InChIKey |
ZNKQZQCGGXGVRU-AGMAZQPASA-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: PT01515, Mu-type opioid receptor