General Information of the Compound
| Compound ID |
CP0871707
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| Compound Name |
N'-(3-Chlorophenylsulfonyl)-N,N-dimethyl-4-ethyl-4,5-dihydro-1H-pyrazole-1-carboxamidine
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| Structure |
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| Formula |
C14H19ClN4O2S
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| Molecular Weight |
342.852
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| Canonical SMILES |
CCC1C=NN(/C(=N/S(=O)(=O)c2cccc(Cl)c2)N(C)C)C1
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| InChI |
InChI=1S/C14H19ClN4O2S/c1-4-11-9-16-19(10-11)14(18(2)3)17-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,4,10H2,1-3H3/b17-14+
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| InChIKey |
DBUZGONQGQCYAT-SAPNQHFASA-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