General Information of the Compound
| Compound ID |
CP0399922
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| Compound Name |
3-(2-(dimethylamino)-2-oxoethylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
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| Structure |
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| Formula |
C29H29N3O3S
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| Molecular Weight |
499.636
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| Canonical SMILES |
CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccccc1)S(=O)CC(=O)N(C)C)c1ccccc1
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| InChI |
InChI=1S/C29H29N3O3S/c1-4-23(20-13-7-5-8-14-20)31-29(34)26-22-17-11-12-18-24(22)30-27(21-15-9-6-10-16-21)28(26)36(35)19-25(33)32(2)3/h5-18,23H,4,19H2,1-3H3,(H,31,34)/t23-,36?/m0/s1
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| InChIKey |
VWXARBOUAOHYNT-IRUXJXNPSA-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