General Information of the Compound
| Compound ID |
CP0487881
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| Compound Name |
N-benzyl-10-(4-chlorophenyl)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 |
C20H14ClN5O2S2
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| Molecular Weight |
455.952
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3ccccc3)nc12
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| InChI |
InChI=1S/C20H14ClN5O2S2/c21-14-6-8-15(9-7-14)30(27,28)20-19-23-18(22-12-13-4-2-1-3-5-13)17-16(10-11-29-17)26(19)25-24-20/h1-11H,12H2,(H,22,23)
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| InChIKey |
FCGQQSPVNRYMRG-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