General Information of the Compound
| Compound ID |
CP0566949
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| Compound Name |
(NE)-N-(1-aminoethylidene)-N'-(4-tert-butylphenyl)sulfonyl-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
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| Structure |
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| Formula |
C28H30ClN5O2S
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| Molecular Weight |
536.101
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| Canonical SMILES |
C\C(N)=N/C(=N\S(=O)(=O)c1ccc(cc1)C(C)(C)C)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C28H30ClN5O2S/c1-19(30)31-27(33-37(35,36)24-16-12-22(13-17-24)28(2,3)4)34-18-25(20-8-6-5-7-9-20)26(32-34)21-10-14-23(29)15-11-21/h5-17,25H,18H2,1-4H3,(H2,30,31,33)
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| InChIKey |
FVALVQHGLPFYII-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
Protein ID: PT01715, Cannabinoid receptor 1
Protein ID: PT01998, Cannabinoid receptor 2