General Information of the Compound
| Compound ID |
CP0482527
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| Compound Name |
US11304929, Example 06-001
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| Structure |
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| Formula |
C26H28FN3O6S
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| Molecular Weight |
529.59
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| Canonical SMILES |
COC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc(nn1C)-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H28FN3O6S/c1-17(28-24(31)23-16-22(29-30(23)2)19-4-8-20(27)9-5-19)18-6-10-21(11-7-18)37(33,34)26(25(32)35-3)12-14-36-15-13-26/h4-11,16-17H,12-15H2,1-3H3,(H,28,31)/t17-/m1/s1
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| InChIKey |
JVOIMKYJMOUWLK-QGZVFWFLSA-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