General Information of the Compound
| Compound ID |
CP0412013
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| Compound Name |
ethyl 2-morpholin-4-yl-4-phenyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-7-propylpyrrolo[1,2-b]pyridazine-5-carboxylate
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| Structure |
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| Formula |
C28H33N5O4
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| Molecular Weight |
503.603
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| Canonical SMILES |
CCCc1c(-c2nc(no2)C(C)C)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
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| InChI |
InChI=1S/C28H33N5O4/c1-5-10-21-23(27-29-26(18(3)4)31-37-27)24(28(34)36-6-2)25-20(19-11-8-7-9-12-19)17-22(30-33(21)25)32-13-15-35-16-14-32/h7-9,11-12,17-18H,5-6,10,13-16H2,1-4H3
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| InChIKey |
YNQCQGHUKRZKFS-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