General Information of the Compound
| Compound ID |
CP0413114
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| Compound Name |
CHEMBL4088509
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| Formula |
C26H27ClFN3O2
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| Molecular Weight |
467.972
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| Canonical SMILES |
C[C@H]1CC[C@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccc(Cl)c(C)c1
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| InChI |
InChI=1S/C26H27ClFN3O2/c1-16-3-10-21(11-4-16)29-25(32)22-14-24(19-7-12-23(27)17(2)13-19)30-31(26(22)33)15-18-5-8-20(28)9-6-18/h5-9,12-14,16,21H,3-4,10-11,15H2,1-2H3,(H,29,32)/t16-,21+
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| InChIKey |
QWXIOMLHSNPVCF-NBEIKUQISA-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