General Information of the Compound
| Compound ID |
CP0553332
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| Compound Name |
N-(2-hydroxy-2-methylpropyl)-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
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| Structure |
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| Formula |
C24H24N4O2
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| Molecular Weight |
400.482
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| Canonical SMILES |
CC(C)(O)CNC(=O)c1cc(Cc2ccc(cc2)-c2ccncc2)c2cccn2n1
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| InChI |
InChI=1S/C24H24N4O2/c1-24(2,30)16-26-23(29)21-15-20(22-4-3-13-28(22)27-21)14-17-5-7-18(8-6-17)19-9-11-25-12-10-19/h3-13,15,30H,14,16H2,1-2H3,(H,26,29)
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| InChIKey |
OWAVBTLKFYOIOV-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