General Information of the Compound
| Compound ID |
CP0038799
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| Compound Name |
N-[6-[4-[(4-anilino-1,1,1-trifluoro-4-oxobutan-2-yl)amino]-2-fluorophenoxy]pyrimidin-4-yl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C25H24F4N6O3
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| Molecular Weight |
532.498
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| Canonical SMILES |
Fc1cc(NC(CC(=O)Nc2ccccc2)C(F)(F)F)ccc1Oc1cc(NC(=O)N2CCCC2)ncn1
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| InChI |
InChI=1S/C25H24F4N6O3/c26-18-12-17(32-20(25(27,28)29)13-22(36)33-16-6-2-1-3-7-16)8-9-19(18)38-23-14-21(30-15-31-23)34-24(37)35-10-4-5-11-35/h1-3,6-9,12,14-15,20,32H,4-5,10-11,13H2,(H,33,36)(H,30,31,34,37)
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| InChIKey |
YKCBBFUAFHUPJE-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