General Information of the Compound
| Compound ID |
CP0462415
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| Compound Name |
2-(2-fluoroanilino)-1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone
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| Structure |
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| Formula |
C29H25F2N3O
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| Molecular Weight |
469.535
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| Canonical SMILES |
Fc1ccccc1NC(C(=O)N1CCCC1c1ccccc1F)c1ccc(cc1)-c1ccncc1
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| InChI |
InChI=1S/C29H25F2N3O/c30-24-7-2-1-6-23(24)27-10-5-19-34(27)29(35)28(33-26-9-4-3-8-25(26)31)22-13-11-20(12-14-22)21-15-17-32-18-16-21/h1-4,6-9,11-18,27-28,33H,5,10,19H2
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| InChIKey |
KDTOVNFSUWSVFN-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