General Information of the Compound
| Compound ID |
CP0507521
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| Compound Name |
N-(3-ethylphenyl)-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 |
C22H19N5O2S2
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| Molecular Weight |
449.561
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| Canonical SMILES |
CCc1cccc(Nc2nc3c(nnn3c3ccsc23)S(=O)(=O)c2ccc(C)cc2)c1
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| InChI |
InChI=1S/C22H19N5O2S2/c1-3-15-5-4-6-16(13-15)23-20-19-18(11-12-30-19)27-21(24-20)22(25-26-27)31(28,29)17-9-7-14(2)8-10-17/h4-13H,3H2,1-2H3,(H,23,24)
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| InChIKey |
IXDGVZGFSYTUMK-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