General Information of the Compound
| Compound ID |
CP0549210
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| Compound Name |
CHEMBL4465394
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| Formula |
C26H36N4O4S
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| Molecular Weight |
500.665
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| Canonical SMILES |
O=C(NC1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)NCc1ccccc1)c1cc(on1)C1CC1
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| InChI |
InChI=1S/C26H36N4O4S/c31-26(24-16-25(34-29-24)21-8-9-21)28-23-12-14-30(15-13-23)35(32,33)18-20-6-10-22(11-7-20)27-17-19-4-2-1-3-5-19/h1-5,16,20-23,27H,6-15,17-18H2,(H,28,31)/t20-,22-
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| InChIKey |
SQGOVOAUUGBLLJ-AQYVVDRMSA-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