General Information of the Compound
| Compound ID |
CP0567383
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| Compound Name |
5-bromo-8-chloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(3,5-dimethyltriazol-4-yl)-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C21H21BrClN5O2
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| Molecular Weight |
490.789
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| Canonical SMILES |
Cc1nnn(C)c1-c1cc(Br)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl
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| InChI |
InChI=1S/C21H21BrClN5O2/c1-10-7-11(2)24-20(29)15(10)9-28-6-5-13-16(22)8-14(18(23)17(13)21(28)30)19-12(3)25-26-27(19)4/h7-8H,5-6,9H2,1-4H3,(H,24,29)
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| InChIKey |
GIDGCOVAJNOCKD-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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Table of Molecular Bioactivities Related to the Compound