General Information of the Compound
| Compound ID |
CP0412752
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| Compound Name |
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,4-dihydroxy-5-indol-1-ylphenyl)methanone
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| Structure |
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| Formula |
C22H18N2O3S
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| Molecular Weight |
390.464
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| Canonical SMILES |
Oc1cc(O)c(cc1C(=O)N1CCc2sccc2C1)-n1ccc2ccccc12
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| InChI |
InChI=1S/C22H18N2O3S/c25-19-12-20(26)18(24-9-5-14-3-1-2-4-17(14)24)11-16(19)22(27)23-8-6-21-15(13-23)7-10-28-21/h1-5,7,9-12,25-26H,6,8,13H2
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| InChIKey |
OVEQIIQCJMEDEC-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