General Information of the Compound
| Compound ID |
CP0410102
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| Compound Name |
N-[3-(3-aminopropylamino)propyl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H26Cl3N5O
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| Molecular Weight |
494.854
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCNCCCN
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| InChI |
InChI=1S/C23H26Cl3N5O/c1-15-21(23(32)29-13-3-12-28-11-2-10-27)30-31(20-9-8-18(25)14-19(20)26)22(15)16-4-6-17(24)7-5-16/h4-9,14,28H,2-3,10-13,27H2,1H3,(H,29,32)
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| InChIKey |
GHNBODCHAPJFCM-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