General Information of the Compound
| Compound ID |
CP0459064
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| Compound Name |
2-Amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C15H15N3S
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| Molecular Weight |
269.373
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| Canonical SMILES |
Nc1sc2CN(Cc3ccccc3)CCc2c1C#N
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| InChI |
InChI=1S/C15H15N3S/c16-8-13-12-6-7-18(10-14(12)19-15(13)17)9-11-4-2-1-3-5-11/h1-5H,6-7,9-10,17H2
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| InChIKey |
BWNBNBHFRHCKTK-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