General Information of the Compound
| Compound ID |
CP0244557
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| Compound Name |
CHEMBL123397
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| Formula |
C22H24N2O5S
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| Molecular Weight |
428.51
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| Canonical SMILES |
O=C(Cc1ccccc1)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)NS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H24N2O5S/c25-21(13-16-7-3-1-4-8-16)29-19-14-17-11-12-18(15-19)24(17)22(26)23-30(27,28)20-9-5-2-6-10-20/h1-10,17-19H,11-15H2,(H,23,26)/t17-,18+,19+
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| InChIKey |
PRRYOIWFNVYWIC-BWTSREIZSA-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