General Information of the Compound
| Compound ID |
CP0509337
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| Compound Name |
N-(3-methylphenyl)-10-(4-methylphenyl)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 |
C21H17N5O2S2
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| Molecular Weight |
435.534
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(Nc3cccc(C)c3)nc12
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| InChI |
InChI=1S/C21H17N5O2S2/c1-13-6-8-16(9-7-13)30(27,28)21-20-23-19(22-15-5-3-4-14(2)12-15)18-17(10-11-29-18)26(20)25-24-21/h3-12H,1-2H3,(H,22,23)
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| InChIKey |
MJOVEWAOMFFJQT-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