General Information of the Compound
| Compound ID |
CP0579918
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| Compound Name |
N-(2-fluorophenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide
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| Structure |
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| Formula |
C31H33FN10O2
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| Molecular Weight |
596.671
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| Canonical SMILES |
Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4ccccc4F)cc3)n2)-c2cnn(CCN3CCOCC3)c2)[nH]n1
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| InChI |
InChI=1S/C31H33FN10O2/c1-21-16-29(40-39-21)37-28-18-27(23-19-33-42(20-23)11-10-41-12-14-44-15-13-41)36-31(38-28)34-24-8-6-22(7-9-24)17-30(43)35-26-5-3-2-4-25(26)32/h2-9,16,18-20H,10-15,17H2,1H3,(H,35,43)(H3,34,36,37,38,39,40)
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| InChIKey |
DCQCNNMLWZWPCE-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