General Information of the Compound
| Compound ID |
CP0046190
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| Compound Name |
5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)pyridin-4-yl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C26H15F4N5
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| Molecular Weight |
473.433
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| Canonical SMILES |
NC1=NC(c2cccc(F)c12)(c1cccc(c1)-c1cncc(c1)C#N)c1ccnc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H15F4N5/c27-21-6-2-5-20-23(21)24(32)35-25(20,19-7-8-34-22(11-19)26(28,29)30)18-4-1-3-16(10-18)17-9-15(12-31)13-33-14-17/h1-11,13-14H,(H2,32,35)
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| InChIKey |
LWWIAXXIXLRNGA-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