General Information of the Compound
| Compound ID |
CP0524332
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| Compound Name |
(4-(3-(1,2-dimethyl-7-phenyl-1H-pyrrolo[3,2-d]pyridazin-4-ylamino)propyl)piperazin-1-yl)(pyrimidin-2-yl)methanone
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| Structure |
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| Formula |
C26H30N8O
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| Molecular Weight |
470.581
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| Canonical SMILES |
Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3ncccn3)nnc(-c3ccccc3)c2n1C
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| InChI |
InChI=1S/C26H30N8O/c1-19-18-21-23(32(19)2)22(20-8-4-3-5-9-20)30-31-24(21)27-12-7-13-33-14-16-34(17-15-33)26(35)25-28-10-6-11-29-25/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,27,31)
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| InChIKey |
ZSJZRGXQTCYCKH-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