General Information of the Compound
| Compound ID |
CP0572677
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| Compound Name |
2-(6-piperidin-4-yloxypyridazin-3-yl)-5-pyrazol-1-ylphenol
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| Structure |
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| Formula |
C18H19N5O2
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| Molecular Weight |
337.383
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| Canonical SMILES |
Oc1cc(ccc1-c1ccc(OC2CCNCC2)nn1)-n1cccn1
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| InChI |
InChI=1S/C18H19N5O2/c24-17-12-13(23-11-1-8-20-23)2-3-15(17)16-4-5-18(22-21-16)25-14-6-9-19-10-7-14/h1-5,8,11-12,14,19,24H,6-7,9-10H2
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| InChIKey |
MMCZCFOMQLDRNW-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