General Information of the Compound
| Compound ID |
CP0308089
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| Compound Name |
4-[2-(2-fluorophenyl)sulfonyl-3,4,5,6-tetrahydrodiazepin-7-yl]benzonitrile
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| Structure |
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| Formula |
C18H16FN3O2S
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| Molecular Weight |
357.41
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| Canonical SMILES |
Fc1ccccc1S(=O)(=O)N1CCCCC(=N1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C18H16FN3O2S/c19-16-5-1-2-7-18(16)25(23,24)22-12-4-3-6-17(21-22)15-10-8-14(13-20)9-11-15/h1-2,5,7-11H,3-4,6,12H2
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| InChIKey |
KQQWVJMECBOLPR-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