General Information of the Compound
| Compound ID |
CP0966376
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| Compound Name |
5-(2-(Aminomethyl)benzo[b]thiophen-6-yl)-N-phenylnicotinamide
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| Structure |
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| Formula |
C21H17N3OS
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| Molecular Weight |
359.454
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| Canonical SMILES |
NCc1cc2ccc(-c3cncc(C(=O)Nc4ccccc4)c3)cc2s1
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| InChI |
InChI=1S/C21H17N3OS/c22-11-19-9-15-7-6-14(10-20(15)26-19)16-8-17(13-23-12-16)21(25)24-18-4-2-1-3-5-18/h1-10,12-13H,11,22H2,(H,24,25)
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| InChIKey |
QYLDMGZNUBOXQB-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