General Information of the Compound
| Compound ID |
CP0441972
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| Compound Name |
US8653100, 200
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| Structure |
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| Formula |
C29H40ClN3O3S
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| Molecular Weight |
546.177
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCNS(=O)(=O)CCCN3CCCCC3)cc12
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| InChI |
InChI=1S/C29H40ClN3O3S/c30-25-9-7-24(8-10-25)29(13-4-14-29)28-27-22-26(11-6-23(27)12-15-31-28)36-20-16-32-37(34,35)21-5-19-33-17-2-1-3-18-33/h6-11,22,28,31-32H,1-5,12-21H2
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| InChIKey |
BYGFMUZDSHTZFM-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