General Information of the Compound
| Compound ID |
CP0482376
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| Compound Name |
2-[3-(2H-tetrazol-5-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C16H15N5O2S
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| Molecular Weight |
341.396
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| Canonical SMILES |
O=S(=O)(N1CCc2ccccc2C1)c1cccc(c1)-c1nnn[nH]1
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| InChI |
InChI=1S/C16H15N5O2S/c22-24(23,21-9-8-12-4-1-2-5-14(12)11-21)15-7-3-6-13(10-15)16-17-19-20-18-16/h1-7,10H,8-9,11H2,(H,17,18,19,20)
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| InChIKey |
OAHSGVQFSYIBJH-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