General Information of the Compound
| Compound ID |
CP0435340
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| Compound Name |
ethyl 6-(3-butyl-1,2,4-oxadiazol-5-yl)-2-morpholin-4-yl-4-phenyl-7-propylpyrrolo[1,2-b]pyridazine-5-carboxylate
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| Structure |
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| Formula |
C29H35N5O4
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| Molecular Weight |
517.63
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| Canonical SMILES |
CCCCc1noc(n1)-c1c(CCC)n2nc(cc(-c3ccccc3)c2c1C(=O)OCC)N1CCOCC1
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| InChI |
InChI=1S/C29H35N5O4/c1-4-7-14-23-30-28(38-32-23)25-22(11-5-2)34-27(26(25)29(35)37-6-3)21(20-12-9-8-10-13-20)19-24(31-34)33-15-17-36-18-16-33/h8-10,12-13,19H,4-7,11,14-18H2,1-3H3
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| InChIKey |
CSPQBKJLLSKGHX-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