General Information of the Compound
| Compound ID |
CP0538964
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| Compound Name |
N-[3-[[5-fluoro-2-[4-(oxolan-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C24H24FN5O3
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| Molecular Weight |
449.486
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| Canonical SMILES |
Fc1cnc(Nc2ccc(OCC3CCCO3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C24H24FN5O3/c1-2-22(31)27-17-5-3-6-18(13-17)28-23-21(25)14-26-24(30-23)29-16-8-10-19(11-9-16)33-15-20-7-4-12-32-20/h2-3,5-6,8-11,13-14,20H,1,4,7,12,15H2,(H,27,31)(H2,26,28,29,30)
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| InChIKey |
VJYBVJIHUKIUBA-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