General Information of the Compound
| Compound ID |
CP0483589
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| Compound Name |
US10787419, Compound 8
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| Structure |
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| Formula |
C29H23Cl2N5O2S
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| Molecular Weight |
576.509
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| Canonical SMILES |
Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(\NC(=N)c1ccccc1)=N\S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H23Cl2N5O2S/c30-23-13-11-21(12-14-23)27-26(20-7-3-1-4-8-20)19-36(34-27)29(33-28(32)22-9-5-2-6-10-22)35-39(37,38)25-17-15-24(31)16-18-25/h1-18,26H,19H2,(H2,32,33,35)
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| InChIKey |
QGGBJCCFQMWVFN-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