General Information of the Compound
| Compound ID |
CP0390256
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| Compound Name |
US8653100, 58
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| Structure |
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| Formula |
C33H35ClN4O3S
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| Molecular Weight |
603.188
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCNS(=O)(=O)c3ccc(NCc4ccccc4)nc3)cc12
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| InChI |
InChI=1S/C33H35ClN4O3S/c34-27-10-8-26(9-11-27)33(16-4-17-33)32-30-21-28(12-7-25(30)15-18-35-32)41-20-19-38-42(39,40)29-13-14-31(37-23-29)36-22-24-5-2-1-3-6-24/h1-3,5-14,21,23,32,35,38H,4,15-20,22H2,(H,36,37)
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| InChIKey |
SJJPDTSVGZKRBU-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