General Information of the Compound
| Compound ID |
CP0502806
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| Compound Name |
(4-(3-(4-phenylpyridazino[4,5-b]indolizin-1-ylamino)propyl)piperazin-1-yl)(pyrazin-2-yl)methanone
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| Structure |
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| Formula |
C28H28N8O
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| Molecular Weight |
492.587
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| Canonical SMILES |
O=C(N1CCN(CCCNc2nnc(-c3ccccc3)c3c2cc2ccccn32)CC1)c1cnccn1
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| InChI |
InChI=1S/C28H28N8O/c37-28(24-20-29-11-12-30-24)35-17-15-34(16-18-35)13-6-10-31-27-23-19-22-9-4-5-14-36(22)26(23)25(32-33-27)21-7-2-1-3-8-21/h1-5,7-9,11-12,14,19-20H,6,10,13,15-18H2,(H,31,33)
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| InChIKey |
UBFOHSDZACWGDX-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