General Information of the Compound
Compound ID |
CP0510688
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Compound Name |
4-[(1S,2S,6R,7R,9S)-9-fluoro-2-methyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(trifluoromethyl)benzonitrile
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Structure |
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Formula |
C17H16F4N2O2S
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Molecular Weight |
388.386
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Canonical SMILES |
C[C@@]12[C@H]3C[C@H](C[C@@H]3F)[C@@H]1CN(c1ccc(C#N)c(c1)C(F)(F)F)S2(=O)=O
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InChI |
InChI=1S/C17H16F4N2O2S/c1-16-13-4-10(5-15(13)18)14(16)8-23(26(16,24)25)11-3-2-9(7-22)12(6-11)17(19,20)21/h2-3,6,10,13-15H,4-5,8H2,1H3/t10-,13+,14+,15+,16-/m1/s1
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InChIKey |
DPJKXHZJCPOPBS-RLPSOPLKSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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