General Information of the Compound
| Compound ID |
CP0419810
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| Compound Name |
(2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone
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| Formula |
C24H21N3OS
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| Molecular Weight |
399.519
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| Canonical SMILES |
O=C(N1CCNCC1)c1cc(nc2c(cccc12)-c1cccs1)-c1ccccc1
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| InChI |
InChI=1S/C24H21N3OS/c28-24(27-13-11-25-12-14-27)20-16-21(17-6-2-1-3-7-17)26-23-18(20)8-4-9-19(23)22-10-5-15-29-22/h1-10,15-16,25H,11-14H2
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| InChIKey |
RFAZBKJYWYYECH-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