General Information of the Compound
| Compound ID |
CP0246097
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| Compound Name |
4-[(4S)-2-(4-chlorophenyl)sulfonyl-5-(3,4-dichlorophenyl)-3,4-dihydropyrazol-4-yl]-N,N-dimethylaniline
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| Structure |
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| Formula |
C23H20Cl3N3O2S
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| Molecular Weight |
508.858
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| Canonical SMILES |
CN(C)c1ccc(cc1)[C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H20Cl3N3O2S/c1-28(2)18-8-3-15(4-9-18)20-14-29(32(30,31)19-10-6-17(24)7-11-19)27-23(20)16-5-12-21(25)22(26)13-16/h3-13,20H,14H2,1-2H3/t20-/m1/s1
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| InChIKey |
YYFWMWSMLYGHCD-HXUWFJFHSA-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