General Information of the Compound
| Compound ID |
CP0749809
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| Compound Name |
(rac)-(7-(3,4-dimethoxybenzyl)-4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)(1-ethyl-1H-indol-3-yl)methanone
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| Structure |
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| Formula |
C27H28N2O3S
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| Molecular Weight |
460.599
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| Canonical SMILES |
CCn1cc(C(=O)N2CCc3ccsc3C2Cc2ccc(OC)c(OC)c2)c2ccccc21
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| InChI |
InChI=1S/C27H28N2O3S/c1-4-28-17-21(20-7-5-6-8-22(20)28)27(30)29-13-11-19-12-14-33-26(19)23(29)15-18-9-10-24(31-2)25(16-18)32-3/h5-10,12,14,16-17,23H,4,11,13,15H2,1-3H3
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| InChIKey |
JOCIBZPBSCTMTE-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1