General Information of the Compound
| Compound ID |
CP0386508
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| Compound Name |
10-(benzenesulfonyl)-N-methyl-N-(pyridin-3-ylmethyl)-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 |
C20H16N6O2S2
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| Molecular Weight |
436.522
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| Canonical SMILES |
CN(Cc1cccnc1)c1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H16N6O2S2/c1-25(13-14-6-5-10-21-12-14)18-17-16(9-11-29-17)26-19(22-18)20(23-24-26)30(27,28)15-7-3-2-4-8-15/h2-12H,13H2,1H3
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| InChIKey |
ITMNONAOENDKLR-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