General Information of the Compound
| Compound ID |
CP0483592
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| Compound Name |
US10787419, Compound 12
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| Structure |
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| Formula |
C28H22Cl2N6O2S
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| Molecular Weight |
577.497
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| Canonical SMILES |
Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(\NC(=N)c1ccncc1)=N\S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H22Cl2N6O2S/c29-22-8-6-20(7-9-22)26-25(19-4-2-1-3-5-19)18-36(34-26)28(33-27(31)21-14-16-32-17-15-21)35-39(37,38)24-12-10-23(30)11-13-24/h1-17,25H,18H2,(H2,31,33,35)
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| InChIKey |
WVHZGUYNBRNCET-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