General Information of the Compound
| Compound ID |
CP0479893
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| Compound Name |
US10787419, Compound 3
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| Structure |
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| Formula |
C27H27Cl2N5O2S
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| Molecular Weight |
556.519
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| Canonical SMILES |
CC(C)(C)C(=N)N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C27H27Cl2N5O2S/c1-27(2,3)25(30)31-26(33-37(35,36)22-15-13-21(29)14-16-22)34-17-23(18-7-5-4-6-8-18)24(32-34)19-9-11-20(28)12-10-19/h4-16,23H,17H2,1-3H3,(H2,30,31,33)
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| InChIKey |
PMKIBLHYLBPREW-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