General Information of the Compound
| Compound ID |
CP0533774
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| Compound Name |
(E)-4-(dimethylamino)-N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]but-2-enamide
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| Formula |
C19H19FN4O
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| Molecular Weight |
338.386
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| Canonical SMILES |
CN(C)C\C=C\C(=O)Nc1ccccc1-c1n[nH]c2cc(F)ccc12
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| InChI |
InChI=1S/C19H19FN4O/c1-24(2)11-5-8-18(25)21-16-7-4-3-6-14(16)19-15-10-9-13(20)12-17(15)22-23-19/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,23)/b8-5+
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| InChIKey |
YLHYIMDQYWSMSV-VMPITWQZSA-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