General Information of the Compound
| Compound ID |
CP0519803
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| Compound Name |
4-(1-thiophen-2-ylpyrazol-4-yl)quinoline
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| Structure |
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| Formula |
C16H11N3S
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| Molecular Weight |
277.352
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| Canonical SMILES |
c1csc(c1)-n1cc(cn1)-c1ccnc2ccccc12
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| InChI |
InChI=1S/C16H11N3S/c1-2-5-15-14(4-1)13(7-8-17-15)12-10-18-19(11-12)16-6-3-9-20-16/h1-11H
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| InChIKey |
AHNRUDWDLSZAGN-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