General Information of the Compound
| Compound ID |
CP0398321
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| Compound Name |
morpholin-4-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 |
C30H30N4O2S
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| Molecular Weight |
510.663
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| Canonical SMILES |
O=C(N1CCOCC1)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1cccc2cccnc12
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| InChI |
InChI=1S/C30H30N4O2S/c35-30(34-15-17-36-18-16-34)25-8-6-22(7-9-25)28(27-5-1-3-24-4-2-12-31-29(24)27)23-10-13-33(14-11-23)19-26-20-37-21-32-26/h1-9,12,20-21H,10-11,13-19H2
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| InChIKey |
HFWSSTSNALJTOM-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