General Information of the Compound
| Compound ID |
CP0941860
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| Compound Name |
(5-(tert-Butyl)benzo[b]thiophen-2-yl)methanamine
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| Structure |
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| Formula |
C13H17NS
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| Molecular Weight |
219.353
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| Canonical SMILES |
CC(C)(C)c1ccc2sc(CN)cc2c1
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| InChI |
InChI=1S/C13H17NS/c1-13(2,3)10-4-5-12-9(6-10)7-11(8-14)15-12/h4-7H,8,14H2,1-3H3
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| InChIKey |
BQJUSIFPVDWTKD-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