General Information of the Compound
| Compound ID |
CP0564155
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| Compound Name |
4-[4-(trifluoromethyl)phenyl]butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
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| Structure |
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| Formula |
C15H17F3N2O3
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| Molecular Weight |
330.306
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| Canonical SMILES |
FC(F)(F)c1ccc(CCCCOC(=O)N[C@H]2CNC2=O)cc1
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| InChI |
InChI=1S/C15H17F3N2O3/c16-15(17,18)11-6-4-10(5-7-11)3-1-2-8-23-14(22)20-12-9-19-13(12)21/h4-7,12H,1-3,8-9H2,(H,19,21)(H,20,22)/t12-/m0/s1
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| InChIKey |
XFGRAAXRZBSWNY-LBPRGKRZSA-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