General Information of the Compound
| Compound ID |
CP0509325
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| Compound Name |
10-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-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 |
C21H15N5O4S2
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| Molecular Weight |
465.516
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| Canonical SMILES |
O=S(=O)(c1nnn2c3ccsc3c(NCc3ccc4OCOc4c3)nc12)c1ccccc1
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| InChI |
InChI=1S/C21H15N5O4S2/c27-32(28,14-4-2-1-3-5-14)21-20-23-19(18-15(8-9-31-18)26(20)25-24-21)22-11-13-6-7-16-17(10-13)30-12-29-16/h1-10H,11-12H2,(H,22,23)
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| InChIKey |
ORYYYNMZZWSKOX-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