General Information of the Compound
| Compound ID |
CP0169653
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| Compound Name |
7-fluoro-3-(2-methoxypyridin-4-yl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
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| Structure |
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| Formula |
C24H18FN5O
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| Molecular Weight |
411.44
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| Canonical SMILES |
COc1cc(ccn1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1
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| InChI |
InChI=1S/C24H18FN5O/c1-31-21-11-18(8-9-29-21)24(19-6-3-7-20(25)22(19)23(26)30-24)17-5-2-4-15(10-17)16-12-27-14-28-13-16/h2-14H,1H3,(H2,26,30)
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| InChIKey |
OJAQXSAISVSZNQ-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