General Information of the Compound
| Compound ID |
CP0475677
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| Compound Name |
N-[3-(4-methylpiperazin-1-yl)phenyl]-4-nitro-N-propan-2-ylbenzenesulfonamide
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| Structure |
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| Formula |
C20H26N4O4S
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| Molecular Weight |
418.519
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| Canonical SMILES |
CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C20H26N4O4S/c1-16(2)23(29(27,28)20-9-7-17(8-10-20)24(25)26)19-6-4-5-18(15-19)22-13-11-21(3)12-14-22/h4-10,15-16H,11-14H2,1-3H3
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| InChIKey |
FJDRHCDEBCZDJI-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