General Information of the Compound
| Compound ID |
CP0546000
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| Compound Name |
US9233953, 125
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| Structure |
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| Formula |
C26H28N2O3S
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| Molecular Weight |
448.588
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| Canonical SMILES |
O=C(C1CCS(=O)(=O)CC1)N1CCN(CC1c1ccccc1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C26H28N2O3S/c29-26(22-12-16-32(30,31)17-13-22)28-15-14-27(19-25(28)21-7-2-1-3-8-21)24-11-10-20-6-4-5-9-23(20)18-24/h1-11,18,22,25H,12-17,19H2
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| InChIKey |
PMRNENKOCUOSEC-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