General Information of the Compound
| Compound ID |
CP0125845
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| Compound Name |
N-benzyl-10-(3-chlorophenyl)sulfonyl-N-methyl-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 |
C21H16ClN5O2S2
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| Molecular Weight |
469.979
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| Canonical SMILES |
CN(Cc1ccccc1)c1nc2c(nnn2c2ccsc12)S(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H16ClN5O2S2/c1-26(13-14-6-3-2-4-7-14)19-18-17(10-11-30-18)27-20(23-19)21(24-25-27)31(28,29)16-9-5-8-15(22)12-16/h2-12H,13H2,1H3
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| InChIKey |
AFEOLFPUJYURJM-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