General Information of the Compound
| Compound ID |
CP0874293
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| Compound Name |
(S)-(2-(3,4-dimethoxybenzyl)pyrrolidin-1-yl)(5-(3-methoxyphenyl)-2-methylthiazol-4-yl)methanone
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| Structure |
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| Formula |
C25H28N2O4S
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| Molecular Weight |
452.576
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| Canonical SMILES |
COc1cccc(-c2sc(C)nc2C(=O)N2CCC[C@H]2Cc2ccc(OC)c(OC)c2)c1
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| InChI |
InChI=1S/C25H28N2O4S/c1-16-26-23(24(32-16)18-7-5-9-20(15-18)29-2)25(28)27-12-6-8-19(27)13-17-10-11-21(30-3)22(14-17)31-4/h5,7,9-11,14-15,19H,6,8,12-13H2,1-4H3/t19-/m0/s1
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| InChIKey |
QOBUEJAYVNLSDF-IBGZPJMESA-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1