General Information of the Compound
| Compound ID |
CP0437951
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| Compound Name |
CHEMBL3959336
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| Formula |
C26H33N3O3
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| Molecular Weight |
435.568
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| Canonical SMILES |
NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CCc1ccccc1)C(=O)CO
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| InChI |
InChI=1S/C26H33N3O3/c27-26(32)21-8-4-7-20(15-21)22-16-23-9-10-24(17-22)29(23)14-13-28(25(31)18-30)12-11-19-5-2-1-3-6-19/h1-8,15,22-24,30H,9-14,16-18H2,(H2,27,32)/t22-,23+,24-
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| InChIKey |
GSSMSYOYNFKOTD-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: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor