General Information of the Compound
| Compound ID |
CP0507695
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| Compound Name |
1-(4-(3-(4-(3-fluorophenyl)pyridazino[4,5-b]indolizin-1-ylamino)propyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C25H27FN6O
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| Molecular Weight |
446.53
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| Canonical SMILES |
CC(=O)N1CCN(CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn32)CC1
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| InChI |
InChI=1S/C25H27FN6O/c1-18(33)31-14-12-30(13-15-31)10-5-9-27-25-22-17-21-8-2-3-11-32(21)24(22)23(28-29-25)19-6-4-7-20(26)16-19/h2-4,6-8,11,16-17H,5,9-10,12-15H2,1H3,(H,27,29)
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| InChIKey |
VYVBRJDWKMPJAX-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
Protein ID: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D