General Information of the Compound
| Compound ID |
CP0533944
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| Compound Name |
CHEMBL4541806
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| Formula |
C26H41N3O3
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| Molecular Weight |
443.632
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| Canonical SMILES |
CCC(CC)CN(CCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)C(=O)CO
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| InChI |
InChI=1S/C26H41N3O3/c1-3-19(4-2)17-28(25(31)18-30)12-5-6-13-29-23-10-11-24(29)16-22(15-23)20-8-7-9-21(14-20)26(27)32/h7-9,14,19,22-24,30H,3-6,10-13,15-18H2,1-2H3,(H2,27,32)/t22-,23+,24-
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| InChIKey |
COZZRXOIMLBLRS-BKFWDETESA-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: PT01515, Mu-type opioid receptor