General Information of the Compound
| Compound ID |
CP0948854
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| Compound Name |
2-(1,3-Dihydro-isoindol-2-yl)-5-(3-methoxy-phenyl)-benzoxazole
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| Structure |
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| Formula |
C22H18N2O2
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| Molecular Weight |
342.398
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| Canonical SMILES |
COc1cccc(-c2ccc3oc(N4Cc5ccccc5C4)nc3c2)c1
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| InChI |
InChI=1S/C22H18N2O2/c1-25-19-8-4-7-15(11-19)16-9-10-21-20(12-16)23-22(26-21)24-13-17-5-2-3-6-18(17)14-24/h2-12H,13-14H2,1H3
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| InChIKey |
KEWUSENQYDCJQG-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