General Information of the Compound
| Compound ID |
CP0523848
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| Compound Name |
N-(2,3-dimethylphenyl)-10-(4-propan-2-ylphenyl)sulfonyl-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 |
C24H23N5O2S2
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| Molecular Weight |
477.615
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| Canonical SMILES |
CC(C)c1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(Nc3cccc(C)c3C)nc12
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| InChI |
InChI=1S/C24H23N5O2S2/c1-14(2)17-8-10-18(11-9-17)33(30,31)24-23-26-22(25-19-7-5-6-15(3)16(19)4)21-20(12-13-32-21)29(23)28-27-24/h5-14H,1-4H3,(H,25,26)
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| InChIKey |
UILAIVJVJHFPPX-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