General Information of the Compound
| Compound ID |
CP0393497
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| Compound Name |
(4-methylpiperazin-1-yl)-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone
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| Structure |
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| Formula |
C31H33N5OS
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| Molecular Weight |
523.706
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1cccc2cccnc12
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| InChI |
InChI=1S/C31H33N5OS/c1-34-16-18-36(19-17-34)31(37)26-9-7-23(8-10-26)29(28-6-2-4-25-5-3-13-32-30(25)28)24-11-14-35(15-12-24)20-27-21-38-22-33-27/h2-10,13,21-22H,11-12,14-20H2,1H3
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| InChIKey |
WZEKVKYZWVQTGZ-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