General Information of the Compound
| Compound ID |
CP0504529
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| Compound Name |
(4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3,2-d]pyridazin-4-ylamino)propyl)piperazin-1-yl)(pyridin-2-yl)methanone
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| Structure |
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| Formula |
C27H30N8O3
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| Molecular Weight |
514.59
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| Canonical SMILES |
Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3ccccn3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
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| InChI |
InChI=1S/C27H30N8O3/c1-19-17-22-25(32(19)2)24(20-7-5-8-21(18-20)35(37)38)30-31-26(22)29-11-6-12-33-13-15-34(16-14-33)27(36)23-9-3-4-10-28-23/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,29,31)
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| InChIKey |
PCVVZGUTKQGCCS-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