General Information of the Compound
| Compound ID |
CP0074947
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| Compound Name |
5-(6-bromo-5-methoxy-1H-indol-3-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole
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| Structure |
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| Formula |
C16H12BrN3O2
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| Molecular Weight |
358.195
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| Canonical SMILES |
COc1cc2c(c[nH]c2cc1Br)-c1cnc(o1)-c1ccc[nH]1
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| InChI |
InChI=1S/C16H12BrN3O2/c1-21-14-5-9-10(7-19-13(9)6-11(14)17)15-8-20-16(22-15)12-3-2-4-18-12/h2-8,18-19H,1H3
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| InChIKey |
XCOSAQGGGZDYJN-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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