General Information of the Compound
| Compound ID |
CP0076345
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| Compound Name |
5-Acetyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2,6-dimethyl-2H-pyridazin-3-one
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| Structure |
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| Formula |
C22H31N5O3
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| Molecular Weight |
413.522
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
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| InChI |
InChI=1S/C22H31N5O3/c1-16-20(17(2)28)21(22(29)25(3)24-16)23-10-7-11-26-12-14-27(15-13-26)18-8-5-6-9-19(18)30-4/h5-6,8-9,23H,7,10-15H2,1-4H3
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| InChIKey |
JJNSORDALXSHNX-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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