General Information of the Compound
| Compound ID |
CP0553265
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| Compound Name |
2-(1-benzothiophen-2-yl)-2-(2-fluoroanilino)-1-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone
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| Structure |
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| Formula |
C26H22F2N2OS
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| Molecular Weight |
448.538
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| Canonical SMILES |
Fc1ccccc1NC(C(=O)N1CCC[C@H]1c1ccccc1F)c1cc2ccccc2s1
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| InChI |
InChI=1S/C26H22F2N2OS/c27-19-10-3-2-9-18(19)22-13-7-15-30(22)26(31)25(29-21-12-5-4-11-20(21)28)24-16-17-8-1-6-14-23(17)32-24/h1-6,8-12,14,16,22,25,29H,7,13,15H2/t22-,25?/m0/s1
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| InChIKey |
KDMNOLXIKGBQOY-XADRRFQNSA-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