General Information of the Compound
| Compound ID |
CP0315809
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| Compound Name |
7-fluoro-3-(4-methoxyphenyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
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| Structure |
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| Formula |
C25H19FN4O
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| Molecular Weight |
410.452
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| Canonical SMILES |
COc1ccc(cc1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1
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| InChI |
InChI=1S/C25H19FN4O/c1-31-20-10-8-18(9-11-20)25(21-6-3-7-22(26)23(21)24(27)30-25)19-5-2-4-16(12-19)17-13-28-15-29-14-17/h2-15H,1H3,(H2,27,30)
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| InChIKey |
SMSWJWMOZMPDKT-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