General Information of the Compound
| Compound ID |
CP0345528
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| Compound Name |
6,9-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one
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| Structure |
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| Formula |
C22H22Cl2N4O4
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| Molecular Weight |
477.348
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| Canonical SMILES |
COc1cc(C)[nH]c(=O)c1CN1CCNc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O
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| InChI |
InChI=1S/C22H22Cl2N4O4/c1-10-7-16(31-4)14(21(29)26-10)9-28-6-5-25-20-15(23)8-13(19(24)18(20)22(28)30)17-11(2)27-32-12(17)3/h7-8,25H,5-6,9H2,1-4H3,(H,26,29)
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| InChIKey |
ITIZQLUZPJOSME-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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