General Information of the Compound
| Compound ID |
CP0559403
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| Compound Name |
6-(1-methylpyrazol-4-yl)-2-[2-[7-(6-oxoheptoxy)quinolin-4-yl]oxyethyl]pyridazin-3-one
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| Structure |
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| Formula |
C26H29N5O4
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| Molecular Weight |
475.549
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| Canonical SMILES |
CC(=O)CCCCCOc1ccc2c(OCCn3nc(ccc3=O)-c3cnn(C)c3)ccnc2c1
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| InChI |
InChI=1S/C26H29N5O4/c1-19(32)6-4-3-5-14-34-21-7-8-22-24(16-21)27-12-11-25(22)35-15-13-31-26(33)10-9-23(29-31)20-17-28-30(2)18-20/h7-12,16-18H,3-6,13-15H2,1-2H3
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| InChIKey |
BXOVLOLBFFUHKT-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound