General Information of the Compound
| Compound ID |
CP0572193
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| Compound Name |
5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1,4,6-trimethyl-2-oxopyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C23H23Cl2N3O3
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| Molecular Weight |
460.361
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| Canonical SMILES |
Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)n(C)c3=O)C(=O)c2c1Cl
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| InChI |
InChI=1S/C23H23Cl2N3O3/c1-11-8-12(2)27(5)22(29)17(11)10-28-7-6-15-18(24)9-16(21(25)20(15)23(28)30)19-13(3)26-31-14(19)4/h8-9H,6-7,10H2,1-5H3
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| InChIKey |
GWDVHMHVEQPHSR-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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