General Information of the Compound
| Compound ID |
CP0409459
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| Compound Name |
(3R)-3-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-N-propylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C26H28Cl3N5O2
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| Molecular Weight |
548.902
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| Canonical SMILES |
CCCNC(=O)N1CCC[C@H](C1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C26H28Cl3N5O2/c1-3-12-30-26(36)33-13-4-5-20(15-33)31-25(35)23-16(2)24(17-6-8-18(27)9-7-17)34(32-23)22-11-10-19(28)14-21(22)29/h6-11,14,20H,3-5,12-13,15H2,1-2H3,(H,30,36)(H,31,35)/t20-/m1/s1
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| InChIKey |
AJCJVUCTNUGNEE-HXUWFJFHSA-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