General Information of the Compound
| Compound ID |
CP0503320
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| Compound Name |
CHEMBL1824251
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| Formula |
C27H38N2O3S
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| Molecular Weight |
470.679
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| Canonical SMILES |
CN([C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C27H38N2O3S/c1-28(33(30,31)27-9-4-2-5-10-27)25-15-11-23(12-16-25)24-13-17-26(18-14-24)32-22-8-21-29-19-6-3-7-20-29/h2,4-5,9-10,13-14,17-18,23,25H,3,6-8,11-12,15-16,19-22H2,1H3/t23-,25-
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| InChIKey |
VTVIRCKBHVYEBQ-ALOJWSFFSA-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