General Information of the Compound
| Compound ID |
CP0887532
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| Compound Name |
2-(1,3-Dihydro-isoindol-2-yl)-5-(4-methoxymethyl-phenyl)-benzoxazole
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| Structure |
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| Formula |
C23H20N2O2
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| Molecular Weight |
356.425
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| Canonical SMILES |
COCc1ccc(-c2ccc3oc(N4Cc5ccccc5C4)nc3c2)cc1
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| InChI |
InChI=1S/C23H20N2O2/c1-26-15-16-6-8-17(9-7-16)18-10-11-22-21(12-18)24-23(27-22)25-13-19-4-2-3-5-20(19)14-25/h2-12H,13-15H2,1H3
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| InChIKey |
NWOHIHILPRCSAM-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