General Information of the Compound
| Compound ID |
CP0524331
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| Compound Name |
(4-(3-(4-(3-fluorophenyl)pyridazino[4,5-b]indolizin-1-ylamino)propyl)piperazin-1-yl)(pyridin-2-yl)methanone
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| Structure |
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| Formula |
C29H28FN7O
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| Molecular Weight |
509.589
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| Canonical SMILES |
Fc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)c2ccccn2)c2cc3ccccn3c12
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| InChI |
InChI=1S/C29H28FN7O/c30-22-8-5-7-21(19-22)26-27-24(20-23-9-2-4-14-37(23)27)28(34-33-26)32-12-6-13-35-15-17-36(18-16-35)29(38)25-10-1-3-11-31-25/h1-5,7-11,14,19-20H,6,12-13,15-18H2,(H,32,34)
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| InChIKey |
UEKRYBQQGQXNOW-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