General Information of the Compound
| Compound ID |
CP0462693
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| Compound Name |
1-(3,4-dichlorophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol
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| Structure |
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| Formula |
C23H21Cl2N3O
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| Molecular Weight |
426.347
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| Canonical SMILES |
Cc1ccc(Cn2c3ccccc3n(CC(O)c3ccc(Cl)c(Cl)c3)c2=N)cc1
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| InChI |
InChI=1S/C23H21Cl2N3O/c1-15-6-8-16(9-7-15)13-27-20-4-2-3-5-21(20)28(23(27)26)14-22(29)17-10-11-18(24)19(25)12-17/h2-12,22,26,29H,13-14H2,1H3
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| InChIKey |
LQYDYWMFFKKSFD-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