General Information of the Compound
| Compound ID |
CP0356162
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| Compound Name |
3-(3-pyrimidin-5-ylphenyl)-3-[2-(trifluoromethyl)pyridin-4-yl]isoindol-1-amine
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| Structure |
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| Formula |
C24H16F3N5
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| Molecular Weight |
431.421
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| Canonical SMILES |
NC1=NC(c2ccccc12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H16F3N5/c25-24(26,27)21-11-18(8-9-31-21)23(20-7-2-1-6-19(20)22(28)32-23)17-5-3-4-15(10-17)16-12-29-14-30-13-16/h1-14H,(H2,28,32)
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| InChIKey |
JLXRYBDDOAPKHW-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