General Information of the Compound
| Compound ID |
CP0575212
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| Compound Name |
N-(3-fluoro-4-methylphenyl)-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 |
C32H35FN10O2
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| Molecular Weight |
610.698
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| Canonical SMILES |
Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4ccc(C)c(F)c4)cc3)n2)-c2cnn(CCN3CCOCC3)c2)[nH]n1
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| InChI |
InChI=1S/C32H35FN10O2/c1-21-3-6-26(17-27(21)33)35-31(44)16-23-4-7-25(8-5-23)36-32-37-28(18-29(39-32)38-30-15-22(2)40-41-30)24-19-34-43(20-24)10-9-42-11-13-45-14-12-42/h3-8,15,17-20H,9-14,16H2,1-2H3,(H,35,44)(H3,36,37,38,39,40,41)
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| InChIKey |
XDLOBGRWHOOBIA-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