General Information of the Compound
| Compound ID |
CP0521166
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| Compound Name |
3-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-3-yloxy)-6-(1H-imidazol-1-yl)pyridazine
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| Structure |
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| Formula |
C20H21N5O3
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| Molecular Weight |
379.42
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| Canonical SMILES |
C(N1CCCC(C1)Oc1ccc(nn1)-n1ccnc1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C20H21N5O3/c1-2-16(28-20-6-5-19(22-23-20)25-9-7-21-13-25)12-24(8-1)11-15-3-4-17-18(10-15)27-14-26-17/h3-7,9-10,13,16H,1-2,8,11-12,14H2
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| InChIKey |
QYDFDUCNHWMTCI-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