General Information of the Compound
| Compound ID |
CP0502401
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| Compound Name |
10-(benzenesulfonyl)-N-(2-methoxyethyl)-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 |
C16H15N5O3S2
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| Molecular Weight |
389.462
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| Canonical SMILES |
COCCNc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C16H15N5O3S2/c1-24-9-8-17-14-13-12(7-10-25-13)21-15(18-14)16(19-20-21)26(22,23)11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3,(H,17,18)
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| InChIKey |
ZLXHRSBHWKYJCY-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