General Information of the Compound
| Compound ID |
CP0399441
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| Compound Name |
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-indol-1-ylthiophene-2-carboxamide
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| Structure |
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| Formula |
C20H23N3OS
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| Molecular Weight |
353.491
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| Canonical SMILES |
CCN1CCCC1CNC(=O)c1ccc(s1)-n1ccc2ccccc12
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| InChI |
InChI=1S/C20H23N3OS/c1-2-22-12-5-7-16(22)14-21-20(24)18-9-10-19(25-18)23-13-11-15-6-3-4-8-17(15)23/h3-4,6,8-11,13,16H,2,5,7,12,14H2,1H3,(H,21,24)
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| InChIKey |
KVRGAKSOTZGEFE-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