General Information of the Compound
| Compound ID |
CP0479946
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| Compound Name |
(4-(3-(4-(3-fluorophenyl)pyridazino[4,5-b]indolizin-1-ylamino)propyl)piperazin-1-yl)(1-methyl-1H-pyrrol-2-yl)methanone
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| Structure |
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| Formula |
C29H30FN7O
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| Molecular Weight |
511.605
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| Canonical SMILES |
Cn1cccc1C(=O)N1CCN(CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn32)CC1
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| InChI |
InChI=1S/C29H30FN7O/c1-34-12-5-10-25(34)29(38)36-17-15-35(16-18-36)13-6-11-31-28-24-20-23-9-2-3-14-37(23)27(24)26(32-33-28)21-7-4-8-22(30)19-21/h2-5,7-10,12,14,19-20H,6,11,13,15-18H2,1H3,(H,31,33)
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| InChIKey |
DXEPRYMIMRYMRQ-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