General Information of the Compound
| Compound ID |
CP0388555
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| Compound Name |
ethyl 2-morpholin-4-yl-4-phenyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-7-propylpyrrolo[1,2-b]pyridazine-5-carboxylate
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| Structure |
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| Formula |
C31H31N5O4
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| Molecular Weight |
537.62
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| Canonical SMILES |
CCCc1c(-c2nc(no2)-c2ccccc2)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
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| InChI |
InChI=1S/C31H31N5O4/c1-3-11-24-26(30-32-29(34-40-30)22-14-9-6-10-15-22)27(31(37)39-4-2)28-23(21-12-7-5-8-13-21)20-25(33-36(24)28)35-16-18-38-19-17-35/h5-10,12-15,20H,3-4,11,16-19H2,1-2H3
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| InChIKey |
GJCAVGDUOHZXSO-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