General Information of the Compound
| Compound ID |
CP0380944
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| Compound Name |
2,4,6-trimethyl-N-[(2S)-1-(quinolin-5-ylamino)propan-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C21H25N3O2S
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| Molecular Weight |
383.517
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| Canonical SMILES |
C[C@@H](CNc1cccc2ncccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
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| InChI |
InChI=1S/C21H25N3O2S/c1-14-11-15(2)21(16(3)12-14)27(25,26)24-17(4)13-23-20-9-5-8-19-18(20)7-6-10-22-19/h5-12,17,23-24H,13H2,1-4H3/t17-/m0/s1
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| InChIKey |
LJZPOWGCPYWKLA-KRWDZBQOSA-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