General Information of the Compound
| Compound ID |
CP0374241
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| Compound Name |
N-[7-(7-aminoheptylamino)heptyl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C31H42Cl3N5O
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| Molecular Weight |
607.07
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCN
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| InChI |
InChI=1S/C31H42Cl3N5O/c1-23-29(31(40)37-21-11-7-3-6-10-20-36-19-9-5-2-4-8-18-35)38-39(28-17-16-26(33)22-27(28)34)30(23)24-12-14-25(32)15-13-24/h12-17,22,36H,2-11,18-21,35H2,1H3,(H,37,40)
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| InChIKey |
MLCMEJXDYUTCBX-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