General Information of the Compound
| Compound ID |
CP0374243
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| Compound Name |
N-[5-(5-aminopentylamino)pentyl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H34Cl3N5O
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| Molecular Weight |
550.962
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCNCCCCCN
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| InChI |
InChI=1S/C27H34Cl3N5O/c1-19-25(27(36)33-17-7-3-6-16-32-15-5-2-4-14-31)34-35(24-13-12-22(29)18-23(24)30)26(19)20-8-10-21(28)11-9-20/h8-13,18,32H,2-7,14-17,31H2,1H3,(H,33,36)
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| InChIKey |
XAFYBNATTVKYIO-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2