General Information of the Compound
| Compound ID |
CP0437561
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| Compound Name |
N-[3-[1-[3-[4-(4-chlorophenyl)-7-oxothieno[2,3-d]pyridazin-6-yl]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C28H29ClN4O2S
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| Molecular Weight |
521.086
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3ccsc3c2=O)CC1
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| InChI |
InChI=1S/C28H29ClN4O2S/c1-19(34)30-24-5-2-4-22(18-24)20-10-15-32(16-11-20)13-3-14-33-28(35)27-25(12-17-36-27)26(31-33)21-6-8-23(29)9-7-21/h2,4-9,12,17-18,20H,3,10-11,13-16H2,1H3,(H,30,34)
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| InChIKey |
GTDIOGFHGYUTBU-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