General Information of the Compound
| Compound ID |
CP0508359
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| Compound Name |
4-(3-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridazino[4,5-b]indolizin-1-amine
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| Structure |
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| Formula |
C28H30N8
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| Molecular Weight |
478.604
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| Canonical SMILES |
Cc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)c2ncccn2)c2cc3ccccn3c12
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| InChI |
InChI=1S/C28H30N8/c1-21-7-4-8-22(19-21)25-26-24(20-23-9-2-3-14-36(23)26)27(33-32-25)29-12-6-13-34-15-17-35(18-16-34)28-30-10-5-11-31-28/h2-5,7-11,14,19-20H,6,12-13,15-18H2,1H3,(H,29,33)
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| InChIKey |
SXIMWTLGTMJJMZ-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