General Information of the Compound
| Compound ID |
CP0947159
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| Compound Name |
6-(Benzylamino)-5,6,7,8-tetrahydro-4H-[7]annuleno-[b]thiophen-4-ol
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| Structure |
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| Formula |
C16H19NOS
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| Molecular Weight |
273.401
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| Canonical SMILES |
OC1CC(NCc2ccccc2)CCc2sccc21
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| InChI |
InChI=1S/C16H19NOS/c18-15-10-13(6-7-16-14(15)8-9-19-16)17-11-12-4-2-1-3-5-12/h1-5,8-9,13,15,17-18H,6-7,10-11H2
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| InChIKey |
GSSRNSHXCDBXPR-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