General Information of the Compound
| Compound ID |
CP0083046
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| Compound Name |
N-phenyl-4-{2-phenylpyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-amine
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| Structure |
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| Formula |
C22H16N6
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| Molecular Weight |
364.412
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| Canonical SMILES |
N(c1ccccc1)c1nccc(n1)-c1c(nn2ncccc12)-c1ccccc1
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| InChI |
InChI=1S/C22H16N6/c1-3-8-16(9-4-1)21-20(19-12-7-14-24-28(19)27-21)18-13-15-23-22(26-18)25-17-10-5-2-6-11-17/h1-15H,(H,23,25,26)
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| InChIKey |
UTOOHPODUPHFBL-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