General Information of the Compound
| Compound ID |
CP0550022
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| Compound Name |
4-[[5-[3-(azepan-1-ylmethyl)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluoro-N-hydroxybenzamide
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| Structure |
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| Formula |
C23H25F2N5O2S
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| Molecular Weight |
473.549
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| Canonical SMILES |
Cn1c(Sc2c(F)cc(cc2F)C(=O)NO)nnc1-c1cccc(CN2CCCCCC2)c1
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| InChI |
InChI=1S/C23H25F2N5O2S/c1-29-21(16-8-6-7-15(11-16)14-30-9-4-2-3-5-10-30)26-27-23(29)33-20-18(24)12-17(13-19(20)25)22(31)28-32/h6-8,11-13,32H,2-5,9-10,14H2,1H3,(H,28,31)
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| InChIKey |
FVPXQKCEJHRCRK-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