General Information of the Compound
| Compound ID |
CP0486578
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| Compound Name |
US9682955, 41
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| Structure |
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| Formula |
C37H37Cl2N5O6S
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| Molecular Weight |
750.705
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| Canonical SMILES |
OCC(CO)(CO)NC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C37H37Cl2N5O6S/c38-28-8-1-24(2-9-28)34(25-3-10-29(39)11-4-25)27-7-14-33-32(19-27)35(41-23-40-33)42-30-15-17-44(18-16-30)51(49,50)31-12-5-26(6-13-31)36(48)43-37(20-45,21-46)22-47/h1-14,19,23,30,34,45-47H,15-18,20-22H2,(H,43,48)(H,40,41,42)
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| InChIKey |
RJOVFKSPARKKHK-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