General Information of the Compound
| Compound ID |
CP0437954
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| Compound Name |
CHEMBL4463675
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| Formula |
C25H39N3O3
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| Molecular Weight |
429.605
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| Canonical SMILES |
CCC(CC)CN(CCCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)C(=O)CO
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| InChI |
InChI=1S/C25H39N3O3/c1-3-18(4-2)16-27(24(30)17-29)11-6-12-28-22-9-10-23(28)15-21(14-22)19-7-5-8-20(13-19)25(26)31/h5,7-8,13,18,21-23,29H,3-4,6,9-12,14-17H2,1-2H3,(H2,26,31)/t21-,22+,23-
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| InChIKey |
ONSXQIYRWWZPKH-NUNAXRQHSA-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