General Information of the Compound
| Compound ID |
CP0650414
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| Compound Name |
cis-N-(3-Chloro-4-((3aR,7aS)-1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)phenyl)picolinamide
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| Structure |
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| Formula |
C20H18ClN3O3
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| Molecular Weight |
383.835
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| Canonical SMILES |
O=C(Nc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(Cl)c1)c1ccccn1
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| InChI |
InChI=1S/C20H18ClN3O3/c21-15-11-12(23-18(25)16-7-3-4-10-22-16)8-9-17(15)24-19(26)13-5-1-2-6-14(13)20(24)27/h3-4,7-11,13-14H,1-2,5-6H2,(H,23,25)/t13-,14+
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| InChIKey |
XFWVQXSUWBUOEQ-OKILXGFUSA-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