General Information of the Compound
| Compound ID |
CP0479942
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| Compound Name |
cyclopentyl-[4-[3-[[4-(3-fluorophenyl)pyridazino[4,5-b]indolizin-1-yl]amino]propyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C29H33FN6O
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| Molecular Weight |
500.622
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| Canonical SMILES |
Fc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)C2CCCC2)c2cc3ccccn3c12
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| InChI |
InChI=1S/C29H33FN6O/c30-23-10-5-9-22(19-23)26-27-25(20-24-11-3-4-14-36(24)27)28(33-32-26)31-12-6-13-34-15-17-35(18-16-34)29(37)21-7-1-2-8-21/h3-5,9-11,14,19-21H,1-2,6-8,12-13,15-18H2,(H,31,33)
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| InChIKey |
LPJPACLARPRNJT-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