General Information of the Compound
| Compound ID |
CP0513716
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| Compound Name |
(NE)-N-(1-aminoethylidene)-5-(4-chlorophenyl)-4-phenyl-N'-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
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| Structure |
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| Formula |
C27H28ClN5O2S
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| Molecular Weight |
522.074
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| Canonical SMILES |
CC(C)c1ccc(cc1)S(=O)(=O)\N=C(/N=C(\C)N)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C27H28ClN5O2S/c1-18(2)20-11-15-24(16-12-20)36(34,35)32-27(30-19(3)29)33-17-25(21-7-5-4-6-8-21)26(31-33)22-9-13-23(28)14-10-22/h4-16,18,25H,17H2,1-3H3,(H2,29,30,32)
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| InChIKey |
PLCVQFDHZUZAMO-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