General Information of the Compound
| Compound ID |
CP0325271
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| Compound Name |
(4-(3-(4-(3-nitrophenyl)pyridazino[4,5-b]indolizin-1-ylamino)propyl)piperazin-1-yl)(pyrazin-2-yl)methanone
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| Structure |
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| Formula |
C28H27N9O3
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| Molecular Weight |
537.584
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)c2cnccn2)c2cc3ccccn3c12
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| InChI |
InChI=1S/C28H27N9O3/c38-28(24-19-29-9-10-30-24)35-15-13-34(14-16-35)11-4-8-31-27-23-18-21-6-1-2-12-36(21)26(23)25(32-33-27)20-5-3-7-22(17-20)37(39)40/h1-3,5-7,9-10,12,17-19H,4,8,11,13-16H2,(H,31,33)
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| InChIKey |
SVEKBOWUZRSCKC-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