General Information of the Compound
| Compound ID |
CP0546365
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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]-1-methyl-2,3-dihydro-1,4-benzodiazepin-5-one
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| Structure |
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| Formula |
C23H24Cl2N4O4
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| Molecular Weight |
491.375
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| Canonical SMILES |
COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O
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| InChI |
InChI=1S/C23H24Cl2N4O4/c1-11-8-17(32-5)15(22(30)26-11)10-29-7-6-28(4)21-16(24)9-14(20(25)19(21)23(29)31)18-12(2)27-33-13(18)3/h8-9H,6-7,10H2,1-5H3,(H,26,30)
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| InChIKey |
JBZAFOCDCPBKSF-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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