General Information of the Compound
| Compound ID |
CP0425874
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| Compound Name |
C-(9H-Thioxanthen-9-yl)-methylamine
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| Synonyms |
(9H-thioxanthen-9-ylmethyl)amine
9H-Thioxanthene-9-methanamine
BDBM50097225
C-(9H-Thioxanthen-9-yl)-methylamine
CHEMBL152509
SCHEMBL7001557
ZINC6928031
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| Structure |
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| Formula |
C14H13NS
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| Molecular Weight |
227.332
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| Canonical SMILES |
NCC1c2ccccc2Sc2ccccc12
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| InChI |
InChI=1S/C14H13NS/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12H,9,15H2
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| InChIKey |
MYNBESFWFGVQQB-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
Clinical Information about the Compound