General Information of the Compound
| Compound ID |
CP0534611
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| Compound Name |
3-(4-aminophenyl)-N-(3-chlorophenyl)sulfonyl-N'-ethyl-3,4-dihydropyrazole-2-carboximidamide
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| Structure |
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| Formula |
C18H20ClN5O2S
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| Molecular Weight |
405.911
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| Canonical SMILES |
CCN\C(=N/S(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccc(N)cc1
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| InChI |
InChI=1S/C18H20ClN5O2S/c1-2-21-18(23-27(25,26)16-5-3-4-14(19)12-16)24-17(10-11-22-24)13-6-8-15(20)9-7-13/h3-9,11-12,17H,2,10,20H2,1H3,(H,21,23)
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| InChIKey |
ZXOOHUSLGUDERB-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