General Information of the Compound
| Compound ID |
CP0441558
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| Compound Name |
US8653100, 81
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| Structure |
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| Formula |
C26H33ClN2O4S
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| Molecular Weight |
505.08
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCCS(=O)(=O)N3CCOCC3)cc12
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| InChI |
InChI=1S/C26H33ClN2O4S/c27-22-6-4-21(5-7-22)26(10-1-11-26)25-24-19-23(8-3-20(24)9-12-28-25)33-15-2-18-34(30,31)29-13-16-32-17-14-29/h3-8,19,25,28H,1-2,9-18H2
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| InChIKey |
GYHRGPVLYRDABQ-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