General Information of the Compound
| Compound ID |
CP0437943
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| Compound Name |
CHEMBL4476487
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| Formula |
C28H45N3O3
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| Molecular Weight |
471.686
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| Canonical SMILES |
CCC(CC)CN(CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)C(=O)CO
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| InChI |
InChI=1S/C28H45N3O3/c1-3-21(4-2)19-30(27(33)20-32)14-7-5-6-8-15-31-25-12-13-26(31)18-24(17-25)22-10-9-11-23(16-22)28(29)34/h9-11,16,21,24-26,32H,3-8,12-15,17-20H2,1-2H3,(H2,29,34)/t24-,25+,26-
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| InChIKey |
CLKVQOVJYMOUKD-OOSCYNTBSA-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