General Information of the Compound
| Compound ID |
CP0056709
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| Compound Name |
4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-5-propionyl-2H-pyridazin-3-one
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| Structure |
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| Formula |
C27H33N5O3
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| Molecular Weight |
475.593
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| Canonical SMILES |
CCC(=O)c1c(NCCN2CCN(CC2)c2ccccc2OC)c(=O)n(C)nc1-c1ccccc1
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| InChI |
InChI=1S/C27H33N5O3/c1-4-22(33)24-25(20-10-6-5-7-11-20)29-30(2)27(34)26(24)28-14-15-31-16-18-32(19-17-31)21-12-8-9-13-23(21)35-3/h5-13,28H,4,14-19H2,1-3H3
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| InChIKey |
WWXDGSCJMHTQQR-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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