General Information of the Compound
| Compound ID |
CP0499783
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| Compound Name |
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluoroanilino)-1-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone
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| Structure |
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| Formula |
C26H24F2N2O2
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| Molecular Weight |
434.486
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| Canonical SMILES |
Fc1ccccc1NC(C(=O)N1CCC[C@H]1c1ccccc1F)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C26H24F2N2O2/c27-20-7-2-1-6-19(20)23-10-5-14-30(23)26(31)25(29-22-9-4-3-8-21(22)28)18-11-12-24-17(16-18)13-15-32-24/h1-4,6-9,11-12,16,23,25,29H,5,10,13-15H2/t23-,25?/m0/s1
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| InChIKey |
ZBKVVXBIRJNYOS-LFQPHHBNSA-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