General Information of the Compound
| Compound ID |
CP0865182
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| Compound Name |
US8653100, 50
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| Structure |
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| Formula |
C24H32N2O3S
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| Molecular Weight |
428.598
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| Canonical SMILES |
CCCS(=O)(=O)NCCOc1ccc2c(c1)C(C1(c3ccccc3)CCC1)NCC2
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| InChI |
InChI=1S/C24H32N2O3S/c1-2-17-30(27,28)26-15-16-29-21-10-9-19-11-14-25-23(22(19)18-21)24(12-6-13-24)20-7-4-3-5-8-20/h3-5,7-10,18,23,25-26H,2,6,11-17H2,1H3
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| InChIKey |
UBYMZXGTNKWSQC-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