General Information of the Compound
| Compound ID |
CP0521450
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| Compound Name |
(4-(3-(7-(3-chlorophenyl)-1,2-dimethyl-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 |
C26H29ClN8O
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| Molecular Weight |
505.026
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| Canonical SMILES |
Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3ncccn3)nnc(-c3cccc(Cl)c3)c2n1C
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| InChI |
InChI=1S/C26H29ClN8O/c1-18-16-21-23(33(18)2)22(19-6-3-7-20(27)17-19)31-32-24(21)28-10-5-11-34-12-14-35(15-13-34)26(36)25-29-8-4-9-30-25/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,28,32)
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| InChIKey |
NTTHGUAFUATIQR-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