General Information of the Compound
| Compound ID |
CP0419811
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| Compound Name |
2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline
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| Formula |
C27H24N4S
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| Molecular Weight |
436.584
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| Canonical SMILES |
C1CC(CCN1)n1ccc(n1)-c1cc(nc2c(cccc12)-c1cccs1)-c1ccccc1
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| InChI |
InChI=1S/C27H24N4S/c1-2-6-19(7-3-1)25-18-23(24-13-16-31(30-24)20-11-14-28-15-12-20)21-8-4-9-22(27(21)29-25)26-10-5-17-32-26/h1-10,13,16-18,20,28H,11-12,14-15H2
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| InChIKey |
KPAURQXRWWTAGL-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