General Information of the Compound
| Compound ID |
CP0519400
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| Compound Name |
6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one
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| Structure |
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| Formula |
C25H25N3O3S
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| Molecular Weight |
447.56
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| Canonical SMILES |
COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1
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| InChI |
InChI=1S/C25H25N3O3S/c1-15-26-19-10-11-22(30-3)24(25(19)31-15)21-8-5-9-23(29)28(21)13-17-6-4-7-18(12-17)20-14-32-16(2)27-20/h4,6-7,10-12,14,21H,5,8-9,13H2,1-3H3
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| InChIKey |
GANGORLBPWAZNY-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