General Information of the Compound
| Compound ID |
CP0455504
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| Compound Name |
(3S)-N-(3-chlorophenyl)sulfonyl-N'-ethyl-3-phenyl-3,4-dihydropyrazole-2-carboximidamide
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| Structure |
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| Formula |
C18H19ClN4O2S
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| Molecular Weight |
390.896
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| Canonical SMILES |
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CC[C@H]1c1ccccc1
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| InChI |
InChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)16-10-6-9-15(19)13-16)23-17(11-12-21-23)14-7-4-3-5-8-14/h3-10,12-13,17H,2,11H2,1H3,(H,20,22)/t17-/m0/s1
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| InChIKey |
WKVAITJZJBYHQA-KRWDZBQOSA-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