General Information of the Compound
| Compound ID |
CP0520949
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| Compound Name |
N'-[10-(benzenesulfonyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]-N,N,N'-trimethylethane-1,2-diamine
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| Structure |
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| Formula |
C18H20N6O2S2
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| Molecular Weight |
416.532
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| Canonical SMILES |
CN(C)CCN(C)c1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C18H20N6O2S2/c1-22(2)10-11-23(3)16-15-14(9-12-27-15)24-17(19-16)18(20-21-24)28(25,26)13-7-5-4-6-8-13/h4-9,12H,10-11H2,1-3H3
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| InChIKey |
LHFSXNYULOKICX-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