General Information of the Compound
| Compound ID |
CP0051744
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| Compound Name |
(1S,2R)-1-(3,4-dichlorophenyl)-2-((4-(N,N-dimethylsulfamoyl)piperazin-1-yl)methyl)-N-(4-fluorobenzyl)-N-methylcyclopropanecarboxamide
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| Structure |
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| Formula |
C25H31Cl2FN4O3S
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| Molecular Weight |
557.519
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| Canonical SMILES |
CN(C)S(=O)(=O)N1CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C25H31Cl2FN4O3S/c1-29(2)36(34,35)32-12-10-31(11-13-32)17-20-15-25(20,19-6-9-22(26)23(27)14-19)24(33)30(3)16-18-4-7-21(28)8-5-18/h4-9,14,20H,10-13,15-17H2,1-3H3/t20-,25+/m0/s1
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| InChIKey |
JEZKKPXWSVQUPH-NBGIEHNGSA-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