General Information of the Compound
| Compound ID |
CP0388552
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| Compound Name |
ethyl 2-morpholin-4-yl-4-phenyl-7-propyl-6-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pyrrolo[1,2-b]pyridazine-5-carboxylate
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| Structure |
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| Formula |
C29H34N6O4
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| Molecular Weight |
530.629
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| Canonical SMILES |
CCCc1c(-c2nc(no2)N2CCCC2)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
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| InChI |
InChI=1S/C29H34N6O4/c1-3-10-22-24(27-30-29(32-39-27)34-13-8-9-14-34)25(28(36)38-4-2)26-21(20-11-6-5-7-12-20)19-23(31-35(22)26)33-15-17-37-18-16-33/h5-7,11-12,19H,3-4,8-10,13-18H2,1-2H3
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| InChIKey |
NBXLBDCDGRUOCF-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