General Information of the Compound
| Compound ID |
CP0543863
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| Compound Name |
6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethylsulfonyl)piperazin-1-yl]amino]-1H-quinolin-2-one
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| Structure |
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| Formula |
C24H21ClF3N5O3S2
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| Molecular Weight |
584.045
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| Canonical SMILES |
FC(F)(F)S(=O)(=O)N1CCN(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1nccs1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H21ClF3N5O3S2/c25-17-4-1-15(2-5-17)22(23-29-7-12-37-23)16-3-6-19-18(13-16)20(14-21(34)30-19)31-32-8-10-33(11-9-32)38(35,36)24(26,27)28/h1-7,12-14,22H,8-11H2,(H2,30,31,34)
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| InChIKey |
MJBJJTYCPWINOQ-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