General Information of the Compound
| Compound ID |
CP0400948
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| Compound Name |
ethyl 2-[bis(naphthalen-2-ylsulfonyl)amino]-5-phenylthiophene-3-carboxylate
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| Structure |
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| Formula |
C33H25NO6S3
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| Molecular Weight |
627.765
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| Canonical SMILES |
CCOC(=O)c1cc(sc1N(S(=O)(=O)c1ccc2ccccc2c1)S(=O)(=O)c1ccc2ccccc2c1)-c1ccccc1
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| InChI |
InChI=1S/C33H25NO6S3/c1-2-40-33(35)30-22-31(25-12-4-3-5-13-25)41-32(30)34(42(36,37)28-18-16-23-10-6-8-14-26(23)20-28)43(38,39)29-19-17-24-11-7-9-15-27(24)21-29/h3-22H,2H2,1H3
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| InChIKey |
SDQCDAWLOGBRPA-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