General Information of the Compound
| Compound ID |
CP0946993
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| Compound Name |
2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-(1-methyl-1H-indol-5-yl)benzo[d]oxazole
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| Structure |
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| Formula |
C25H21N3O
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| Molecular Weight |
379.463
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| Canonical SMILES |
Cn1ccc2cc(-c3ccc4oc(N5CCc6ccccc6C5)nc4c3)ccc21
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| InChI |
InChI=1S/C25H21N3O/c1-27-12-10-20-14-18(6-8-23(20)27)19-7-9-24-22(15-19)26-25(29-24)28-13-11-17-4-2-3-5-21(17)16-28/h2-10,12,14-15H,11,13,16H2,1H3
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| InChIKey |
OWRMBCYMIDLPFG-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