General Information of the Compound
| Compound ID |
CP0074949
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| Compound Name |
5-(6-bromo-4-methoxy-1H-indol-3-yl)-4-iodo-2-(1H-pyrrol-2-yl)-1,3-oxazole
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| Structure |
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| Formula |
C16H11BrIN3O2
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| Molecular Weight |
484.091
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| Canonical SMILES |
COc1cc(Br)cc2[nH]cc(-c3oc(nc3I)-c3ccc[nH]3)c12
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| InChI |
InChI=1S/C16H11BrIN3O2/c1-22-12-6-8(17)5-11-13(12)9(7-20-11)14-15(18)21-16(23-14)10-3-2-4-19-10/h2-7,19-20H,1H3
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| InChIKey |
QFXGRFBNODUHIK-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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