General Information of the Compound
| Compound ID |
CP0544115
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| Compound Name |
US8912224, 278
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| Structure |
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| Formula |
C24H18Cl2N4O3S
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| Molecular Weight |
513.406
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| Canonical SMILES |
Clc1ccc(cn1)C1CCc2cc(Oc3ncc(s3)C(=O)NCc3ccnc(Cl)c3)ccc2O1
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| InChI |
InChI=1S/C24H18Cl2N4O3S/c25-21-6-2-16(12-28-21)19-4-1-15-10-17(3-5-18(15)33-19)32-24-30-13-20(34-24)23(31)29-11-14-7-8-27-22(26)9-14/h2-3,5-10,12-13,19H,1,4,11H2,(H,29,31)
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| InChIKey |
UGSODBVQSBZJGO-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