General Information of the Compound
| Compound ID |
CP0439841
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| Compound Name |
N-ethyl-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
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| Structure |
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| Formula |
C29H30N4OS
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| Molecular Weight |
482.653
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| Canonical SMILES |
CCN(C)C(=O)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1cccc2cccnc12
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| InChI |
InChI=1S/C29H30N4OS/c1-3-32(2)29(34)24-11-9-21(10-12-24)27(26-8-4-6-23-7-5-15-30-28(23)26)22-13-16-33(17-14-22)18-25-19-35-20-31-25/h4-12,15,19-20H,3,13-14,16-18H2,1-2H3
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| InChIKey |
RPCMOTUUQRMVOJ-UHFFFAOYSA-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