General Information of the Compound
| Compound ID |
CP0480977
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| Compound Name |
US10787419, Compound 4
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| Structure |
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| Formula |
C26H23Cl2N5O2S
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| Molecular Weight |
540.476
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| Canonical SMILES |
Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(\NC(=N)C1CC1)=N\S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H23Cl2N5O2S/c27-20-10-8-18(9-11-20)24-23(17-4-2-1-3-5-17)16-33(31-24)26(30-25(29)19-6-7-19)32-36(34,35)22-14-12-21(28)13-15-22/h1-5,8-15,19,23H,6-7,16H2,(H2,29,30,32)
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| InChIKey |
YBOYWYPZUYVOHH-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: PT01715, Cannabinoid receptor 1
Protein ID: PT01998, Cannabinoid receptor 2