General Information of the Compound
| Compound ID |
CP0420818
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| Compound Name |
2-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]pyridazin-3-one
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| Structure |
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| Formula |
C22H26N6OS
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| Molecular Weight |
422.558
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| Canonical SMILES |
O=c1cccnn1-c1cccc(c1)-c1nnc(s1)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C22H26N6OS/c29-20-8-5-11-23-28(20)19-7-4-6-17(16-19)21-24-25-22(30-21)27-14-9-18(10-15-27)26-12-2-1-3-13-26/h4-8,11,16,18H,1-3,9-10,12-15H2
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| InChIKey |
GHKMZVRMILYQDN-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