General Information of the Compound
| Compound ID |
CP0948852
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| Compound Name |
2-(1,3-Dihydro-isoindol-2-yl)-5-(3-methoxy-4-methoxymethyl-phenyl)-benzoxazole
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| Structure |
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| Formula |
C24H22N2O3
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| Molecular Weight |
386.451
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| Canonical SMILES |
COCc1ccc(-c2ccc3oc(N4Cc5ccccc5C4)nc3c2)cc1OC
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| InChI |
InChI=1S/C24H22N2O3/c1-27-15-20-8-7-17(12-23(20)28-2)16-9-10-22-21(11-16)25-24(29-22)26-13-18-5-3-4-6-19(18)14-26/h3-12H,13-15H2,1-2H3
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| InChIKey |
XFDDBQQVCVLOPJ-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