General Information of the Compound
| Compound ID |
CP0257263
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| Compound Name |
5-[3-amino-4-fluoro-1-(3-pyrimidin-5-ylphenyl)isoindol-1-yl]-2-methoxy-3-methylbenzonitrile
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| Structure |
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| Formula |
C27H20FN5O
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| Molecular Weight |
449.489
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| Canonical SMILES |
COc1c(C)cc(cc1C#N)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1
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| InChI |
InChI=1S/C27H20FN5O/c1-16-9-21(11-18(12-29)25(16)34-2)27(22-7-4-8-23(28)24(22)26(30)33-27)20-6-3-5-17(10-20)19-13-31-15-32-14-19/h3-11,13-15H,1-2H3,(H2,30,33)
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| InChIKey |
YFSROEJZFCNGBG-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