General Information of the Compound
| Compound ID |
CP0565982
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| Compound Name |
2-(2-fluoroanilino)-1-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyridin-3-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)N1CCC[C@H]1c1ccccc1F)c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C29H25F2N3O/c30-24-9-2-1-8-23(24)27-12-6-18-34(27)29(35)28(33-26-11-4-3-10-25(26)31)21-15-13-20(14-16-21)22-7-5-17-32-19-22/h1-5,7-11,13-17,19,27-28,33H,6,12,18H2/t27-,28?/m0/s1
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| InChIKey |
CBTUEXZUXPOZDH-MBMZGMDYSA-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