General Information of the Compound
| Compound ID |
CP0541996
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| Compound Name |
CHEMBL67768
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| Formula |
C27H35N3O3S
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| Molecular Weight |
481.662
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| Canonical SMILES |
COc1ccc2C3CC(NC[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1
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| InChI |
InChI=1S/C27H35N3O3S/c1-33-22-12-13-24-21(15-22)11-14-26-25(24)16-27(30-26)28-17-19-7-9-20(10-8-19)18-29-34(31,32)23-5-3-2-4-6-23/h2-6,12-13,15,19-20,25-26,29H,7-11,14,16-18H2,1H3,(H,28,30)/t19-,20-,25?,26?
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| InChIKey |
OWUJEAOEMARIBH-WBZLKKPZSA-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