General Information of the Compound
| Compound ID |
CP0454758
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| Compound Name |
3-chloro-4-fluoro-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]aniline
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| Structure |
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| Formula |
C13H14ClFN2O
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| Molecular Weight |
268.719
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| Canonical SMILES |
CC(C)c1cc(CNc2ccc(F)c(Cl)c2)no1
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| InChI |
InChI=1S/C13H14ClFN2O/c1-8(2)13-6-10(17-18-13)7-16-9-3-4-12(15)11(14)5-9/h3-6,8,16H,7H2,1-2H3
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| InChIKey |
DTVYCHSYHFURIG-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