General Information of the Compound
| Compound ID |
CP0006847
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| Compound Name |
N-(2-hydroxy-3-(isoindolin-2-yl)propyl)-3-(pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C23H23N3O2
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| Molecular Weight |
373.456
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| Canonical SMILES |
OC(CNC(=O)c1cccc(c1)-c1ccccn1)CN1Cc2ccccc2C1
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| InChI |
InChI=1S/C23H23N3O2/c27-21(16-26-14-19-6-1-2-7-20(19)15-26)13-25-23(28)18-9-5-8-17(12-18)22-10-3-4-11-24-22/h1-12,21,27H,13-16H2,(H,25,28)
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| InChIKey |
XTOPAEURHUZXCJ-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