General Information of the Compound
| Compound ID |
CP0504539
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| Compound Name |
3-(1-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propylamino)pyridazino[4,5-b]indolizin-4-yl)benzonitrile
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| Structure |
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| Formula |
C28H27N9
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| Molecular Weight |
489.587
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| Canonical SMILES |
N#Cc1cccc(c1)-c1nnc(NCCCN2CCN(CC2)c2ncccn2)c2cc3ccccn3c12
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| InChI |
InChI=1S/C28H27N9/c29-20-21-6-3-7-22(18-21)25-26-24(19-23-8-1-2-13-37(23)26)27(34-33-25)30-11-5-12-35-14-16-36(17-15-35)28-31-9-4-10-32-28/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H,30,34)
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| InChIKey |
KGVFUTVFZWTLLX-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