General Information of the Compound
| Compound ID |
CP0513145
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| Compound Name |
N-[(2S)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
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| Structure |
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| Formula |
C24H32ClN3O4S
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| Molecular Weight |
494.057
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| Canonical SMILES |
COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C)CC1
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| InChI |
InChI=1S/C24H32ClN3O4S/c1-16-14-22(32-5)17(2)18(3)23(16)33(30,31)26-21(15-19-6-8-20(25)9-7-19)24(29)28-12-10-27(4)11-13-28/h6-9,14,21,26H,10-13,15H2,1-5H3/t21-/m0/s1
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| InChIKey |
MDGHQKIZZHQWIR-NRFANRHFSA-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