General Information of the Compound
| Compound ID |
CP0509336
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| Compound Name |
10-(benzenesulfonyl)-N-(4-fluorophenyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
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| Structure |
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| Formula |
C19H12FN5O2S2
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| Molecular Weight |
425.47
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| Canonical SMILES |
Fc1ccc(Nc2nc3c(nnn3c3ccsc23)S(=O)(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C19H12FN5O2S2/c20-12-6-8-13(9-7-12)21-17-16-15(10-11-28-16)25-18(22-17)19(23-24-25)29(26,27)14-4-2-1-3-5-14/h1-11H,(H,21,22)
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| InChIKey |
OOQPQBLXQOACPC-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