General Information of the Compound
| Compound ID |
CP0451207
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| Compound Name |
2-(2-fluoroanilino)-1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-5-ylphenyl)ethanone
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| Structure |
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| Formula |
C28H24F2N4O
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| Molecular Weight |
470.523
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| Canonical SMILES |
Fc1ccccc1NC(C(=O)N1CCCC1c1ccccc1F)c1ccc(cc1)-c1cncnc1
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| InChI |
InChI=1S/C28H24F2N4O/c29-23-7-2-1-6-22(23)26-10-5-15-34(26)28(35)27(33-25-9-4-3-8-24(25)30)20-13-11-19(12-14-20)21-16-31-18-32-17-21/h1-4,6-9,11-14,16-18,26-27,33H,5,10,15H2
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| InChIKey |
UBTNGNPZFOXKPY-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