General Information of the Compound
| Compound ID |
CP0230209
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| Compound Name |
7-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-N-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide
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| Structure |
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| Formula |
C26H26ClFN6O2
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| Molecular Weight |
508.985
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| Canonical SMILES |
Fc1cccc(COc2ccc(Nc3nncc4cc([nH]c34)C(=O)NCCN3CCCC3)cc2Cl)c1
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| InChI |
InChI=1S/C26H26ClFN6O2/c27-21-14-20(6-7-23(21)36-16-17-4-3-5-19(28)12-17)31-25-24-18(15-30-33-25)13-22(32-24)26(35)29-8-11-34-9-1-2-10-34/h3-7,12-15,32H,1-2,8-11,16H2,(H,29,35)(H,31,33)
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| InChIKey |
SJCQYTOHJMCKJL-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