General Information of the Compound
| Compound ID |
CP0436344
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| Compound Name |
4-tert-butyl-N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide
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| Structure |
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| Formula |
C29H32FN7O2
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| Molecular Weight |
529.62
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| Canonical SMILES |
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4ccc(cc4)C(C)(C)C)c3C)cc2C1
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| InChI |
InChI=1S/C29H32FN7O2/c1-17-21(10-11-22(30)26(17)32-27(38)18-6-8-19(9-7-18)29(2,3)4)23-15-24(28(39)34-33-23)31-25-14-20-16-36(5)12-13-37(20)35-25/h6-11,14-15H,12-13,16H2,1-5H3,(H,32,38)(H,34,39)(H,31,33,35)
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| InChIKey |
DCGOZLMPOYHONG-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