General Information of the Compound
| Compound ID |
CP0437955
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| Compound Name |
CHEMBL4569252
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| Formula |
C24H37N3O3
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| Molecular Weight |
415.578
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| Canonical SMILES |
CCCCCCN(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)C(=O)CO
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| InChI |
InChI=1S/C24H37N3O3/c1-2-3-4-5-11-26(23(29)17-28)12-13-27-21-9-10-22(27)16-20(15-21)18-7-6-8-19(14-18)24(25)30/h6-8,14,20-22,28H,2-5,9-13,15-17H2,1H3,(H2,25,30)/t20-,21+,22-
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| InChIKey |
HFPPAYPHTDOEGL-KOUNCHBCSA-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