General Information of the Compound
| Compound ID |
CP0317818
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| Compound Name |
7-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-N-(2-(diethylamino)ethyl)-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide
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| Structure |
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| Formula |
C26H28ClFN6O2
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| Molecular Weight |
511.001
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1cc2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2[nH]1
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| InChI |
InChI=1S/C26H28ClFN6O2/c1-3-34(4-2)11-10-29-26(35)22-13-18-15-30-33-25(24(18)32-22)31-20-8-9-23(21(27)14-20)36-16-17-6-5-7-19(28)12-17/h5-9,12-15,32H,3-4,10-11,16H2,1-2H3,(H,29,35)(H,31,33)
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| InChIKey |
QDGJXOSRDOUWFQ-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