General Information of the Compound
| Compound ID |
CP0557185
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| Compound Name |
US8653125, Id-8
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| Formula |
C22H21FN4O4S
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| Molecular Weight |
456.499
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| Canonical SMILES |
Fc1ccccc1-n1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2c3ccccc3OS2(=O)=O)n1
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| InChI |
InChI=1S/C22H21FN4O4S/c23-17-5-1-2-6-18(17)26-14-13-21(25-26)24-22(28)15-9-11-16(12-10-15)27-19-7-3-4-8-20(19)31-32(27,29)30/h1-8,13-16H,9-12H2,(H,24,25,28)/t15-,16+
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| InChIKey |
PLGNLXVIIQOAPK-IYBDPMFKSA-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