General Information of the Compound
| Compound ID |
CP0421238
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| Compound Name |
methyl 2-[acetyl-[[5-bromo-2-[(2-chlorobenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
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| Structure |
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| Formula |
C25H22BrClN2O4
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| Molecular Weight |
529.818
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| Canonical SMILES |
COC(=O)CN(C(c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1Cl)C(C)=O
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| InChI |
InChI=1S/C25H22BrClN2O4/c1-16(30)29(15-23(31)33-2)24(17-8-4-3-5-9-17)20-14-18(26)12-13-22(20)28-25(32)19-10-6-7-11-21(19)27/h3-14,24H,15H2,1-2H3,(H,28,32)
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| InChIKey |
GSPWQWXABHYRBK-UHFFFAOYSA-N
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| CAS |
5807-03-4
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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