General Information of the Compound
| Compound ID |
CP0540287
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| Compound Name |
2-(1-benzothiophen-2-yl)-2-(2-fluoroanilino)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone
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| Structure |
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| Formula |
C25H22FN3OS
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| Molecular Weight |
431.536
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| Canonical SMILES |
Fc1ccccc1NC(C(=O)N1CCCC1c1cccnc1)c1cc2ccccc2s1
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| InChI |
InChI=1S/C25H22FN3OS/c26-19-9-2-3-10-20(19)28-24(23-15-17-7-1-4-12-22(17)31-23)25(30)29-14-6-11-21(29)18-8-5-13-27-16-18/h1-5,7-10,12-13,15-16,21,24,28H,6,11,14H2
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| InChIKey |
GWVXTQJIYAYAEZ-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