General Information of the Compound
| Compound ID |
CP0540288
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| Compound Name |
2-(1-benzothiophen-2-yl)-2-(2-fluoroanilino)-1-(2-pyridin-2-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)N1CCCC1c1ccccn1)c1cc2ccccc2s1
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| InChI |
InChI=1S/C25H22FN3OS/c26-18-9-2-3-10-19(18)28-24(23-16-17-8-1-4-13-22(17)31-23)25(30)29-15-7-12-21(29)20-11-5-6-14-27-20/h1-6,8-11,13-14,16,21,24,28H,7,12,15H2
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| InChIKey |
BSONHOQFIYHFJW-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