General Information of the Compound
| Compound ID |
CP0462931
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| Compound Name |
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-[2-methyl-5-(2-phenylmethoxyphenyl)pyrrol-1-yl]benzamide
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| Structure |
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| Formula |
C30H27N3O5S
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| Molecular Weight |
541.629
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| Canonical SMILES |
Cc1ccc(-c2ccccc2OCc2ccccc2)n1-c1cccc(c1)C(=O)NS(=O)(=O)c1c(C)noc1C
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| InChI |
InChI=1S/C30H27N3O5S/c1-20-16-17-27(26-14-7-8-15-28(26)37-19-23-10-5-4-6-11-23)33(20)25-13-9-12-24(18-25)30(34)32-39(35,36)29-21(2)31-38-22(29)3/h4-18H,19H2,1-3H3,(H,32,34)
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| InChIKey |
YBWLEEJNTWDKOA-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