General Information of the Compound
| Compound ID |
CP0550984
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| Compound Name |
US8653100, 179
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| Structure |
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| Formula |
C31H32ClN3O5S
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| Molecular Weight |
594.133
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCNS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)cc12
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| InChI |
InChI=1S/C31H32ClN3O5S/c32-23-9-7-22(8-10-23)31(13-3-14-31)28-27-20-24(11-6-21(27)12-15-33-28)40-18-16-34-41(38,39)19-17-35-29(36)25-4-1-2-5-26(25)30(35)37/h1-2,4-11,20,28,33-34H,3,12-19H2
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| InChIKey |
MBXJWZGUDVXJCA-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