General Information of the Compound
| Compound ID |
CP0186928
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| Compound Name |
3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
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| Structure |
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| Formula |
C23H17N5
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| Molecular Weight |
363.424
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| Canonical SMILES |
NC1=NC(c2ccccc12)(c1ccncc1)c1cccc(c1)-c1cncnc1
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| InChI |
InChI=1S/C23H17N5/c24-22-20-6-1-2-7-21(20)23(28-22,18-8-10-25-11-9-18)19-5-3-4-16(12-19)17-13-26-15-27-14-17/h1-15H,(H2,24,28)
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| InChIKey |
AQKMASIJQXIOKJ-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