General Information of the Compound
| Compound ID |
CP0481906
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| Compound Name |
N-[2-[5-(4-fluorophenyl)-3-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazol-1-yl]ethyl]acetamide
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| Structure |
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| Formula |
C22H21FN4O3
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| Molecular Weight |
408.433
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| Canonical SMILES |
CC(=O)NCCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C22H21FN4O3/c1-13-21(16-5-8-19-18(11-16)25-20(29)12-30-19)22(15-3-6-17(23)7-4-15)27(26-13)10-9-24-14(2)28/h3-8,11H,9-10,12H2,1-2H3,(H,24,28)(H,25,29)
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| InChIKey |
ZZAITVDFADQYRZ-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