General Information of the Compound
| Compound ID |
CP0472556
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| Compound Name |
US9732061, Compound 19
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| Structure |
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| Formula |
C33H28Cl2N4O4S
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| Molecular Weight |
647.584
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| Canonical SMILES |
OC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Nc1cnnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C33H28Cl2N4O4S/c34-24-10-5-21(6-11-24)32(22-7-12-25(35)13-8-22)23-9-14-29-28(19-23)30(20-36-38-29)37-26-15-17-39(18-16-26)44(42,43)31-4-2-1-3-27(31)33(40)41/h1-14,19-20,26,32H,15-18H2,(H,37,38)(H,40,41)
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| InChIKey |
ITZSQLJPQWMJBB-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