General Information of the Compound
| Compound ID |
CP0555340
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| Compound Name |
US8653100, 29
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| Structure |
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| Formula |
C26H27Cl2N3O3S
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| Molecular Weight |
532.493
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCNS(=O)(=O)c3ccc(Cl)nc3)cc12
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| InChI |
InChI=1S/C26H27Cl2N3O3S/c27-20-5-3-19(4-6-20)26(11-1-12-26)25-23-16-21(7-2-18(23)10-13-29-25)34-15-14-31-35(32,33)22-8-9-24(28)30-17-22/h2-9,16-17,25,29,31H,1,10-15H2
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| InChIKey |
CDKYEKSHRQNZBA-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