General Information of the Compound
| Compound ID |
CP0169655
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| Compound Name |
3-(2-cyclopropylpyridin-4-yl)-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
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| Structure |
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| Formula |
C26H20FN5
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| Molecular Weight |
421.479
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| Canonical SMILES |
NC1=NC(c2cccc(F)c12)(c1ccnc(c1)C1CC1)c1cccc(c1)-c1cncnc1
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| InChI |
InChI=1S/C26H20FN5/c27-22-6-2-5-21-24(22)25(28)32-26(21,20-9-10-31-23(12-20)16-7-8-16)19-4-1-3-17(11-19)18-13-29-15-30-14-18/h1-6,9-16H,7-8H2,(H2,28,32)
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| InChIKey |
HLZIYZMSCOXBTI-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