General Information of the Compound
| Compound ID |
CP0880705
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| Compound Name |
2-(3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-5-(1-methyl-1H-indol-5-yl)benzo[d]oxazole
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| Structure |
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| Formula |
C23H20N4O
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| Molecular Weight |
368.44
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| Canonical SMILES |
Cn1ccc2cc(-c3ccc4oc(N5CCn6cccc6C5)nc4c3)ccc21
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| InChI |
InChI=1S/C23H20N4O/c1-25-10-8-18-13-16(4-6-21(18)25)17-5-7-22-20(14-17)24-23(28-22)27-12-11-26-9-2-3-19(26)15-27/h2-10,13-14H,11-12,15H2,1H3
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| InChIKey |
MCBHKKITYUPMCN-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