General Information of the Compound
| Compound ID |
CP0019386
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| Compound Name |
3-(2-Hydroxy-phenyl)-4-[1-(3-hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyrrole-2,5-dione
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| Structure |
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| Formula |
C21H19N3O4
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| Molecular Weight |
377.4
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| Canonical SMILES |
COCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2O)c2cccnc12
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| InChI |
InChI=1S/C21H19N3O4/c1-28-11-5-10-24-12-15(13-7-4-9-22-19(13)24)18-17(20(26)23-21(18)27)14-6-2-3-8-16(14)25/h2-4,6-9,12,25H,5,10-11H2,1H3,(H,23,26,27)
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| InChIKey |
DZVIVYUYURSYNH-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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