General Information of the Compound
| Compound ID |
CP0538839
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| Compound Name |
6-(1-methylpyrazol-4-yl)-2-[2-[7-(5-sulfanylpentoxy)quinolin-4-yl]oxyethyl]pyridazin-3-one
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| Structure |
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| Formula |
C24H27N5O3S
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| Molecular Weight |
465.579
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(=O)n(CCOc2ccnc3cc(OCCCCCS)ccc23)n1
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| InChI |
InChI=1S/C24H27N5O3S/c1-28-17-18(16-26-28)21-7-8-24(30)29(27-21)11-13-32-23-9-10-25-22-15-19(5-6-20(22)23)31-12-3-2-4-14-33/h5-10,15-17,33H,2-4,11-14H2,1H3
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| InChIKey |
XVKMYLMSWNIAHF-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