General Information of the Compound
| Compound ID |
CP0375654
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| Compound Name |
N-[5-[5-aminopentyl(methyl)amino]pentyl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C28H36Cl3N5O
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| Molecular Weight |
564.989
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| Canonical SMILES |
CN(CCCCCN)CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C28H36Cl3N5O/c1-20-26(28(37)33-16-6-4-8-18-35(2)17-7-3-5-15-32)34-36(25-14-13-23(30)19-24(25)31)27(20)21-9-11-22(29)12-10-21/h9-14,19H,3-8,15-18,32H2,1-2H3,(H,33,37)
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| InChIKey |
ZWEUSOIZQIEIES-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