General Information of the Compound
| Compound ID |
CP0859257
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| Compound Name |
5-(1-methyl-1H-indol-5-yl)-2-(piperazin-1-yl)benzo[d]oxazole
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| Structure |
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| Formula |
C20H20N4O
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| Molecular Weight |
332.407
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| Canonical SMILES |
Cn1ccc2cc(-c3ccc4oc(N5CCNCC5)nc4c3)ccc21
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| InChI |
InChI=1S/C20H20N4O/c1-23-9-6-16-12-14(2-4-18(16)23)15-3-5-19-17(13-15)22-20(25-19)24-10-7-21-8-11-24/h2-6,9,12-13,21H,7-8,10-11H2,1H3
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| InChIKey |
SBKSCAFOQZRIQZ-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