General Information of the Compound
| Compound ID |
CP0944959
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| Compound Name |
(5-(Pyridin-3-yl)benzo[b]thiophen-2-yl)methanamine
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| Structure |
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| Formula |
C14H12N2S
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| Molecular Weight |
240.331
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| Canonical SMILES |
NCc1cc2cc(-c3cccnc3)ccc2s1
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| InChI |
InChI=1S/C14H12N2S/c15-8-13-7-12-6-10(3-4-14(12)17-13)11-2-1-5-16-9-11/h1-7,9H,8,15H2
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| InChIKey |
QNAFIEDMPJRDPA-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