General Information of the Compound
| Compound ID |
CP0479945
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| Compound Name |
4-phenyl-N-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)pyridazino[4,5-b]indolizin-1-amine
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| Structure |
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| Formula |
C27H28N8
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| Molecular Weight |
464.577
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| Canonical SMILES |
C(CNc1nnc(-c2ccccc2)c2c1cc1ccccn21)CN1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C27H28N8/c1-2-8-21(9-3-1)24-25-23(20-22-10-4-5-15-35(22)25)26(32-31-24)28-13-7-14-33-16-18-34(19-17-33)27-29-11-6-12-30-27/h1-6,8-12,15,20H,7,13-14,16-19H2,(H,28,32)
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| InChIKey |
FGKURLWZQBUPOB-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