General Information of the Compound
| Compound ID |
CP0500103
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| Compound Name |
US8835470, 6
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| Structure |
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| Formula |
C27H26F3N5O6
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| Molecular Weight |
573.528
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| Canonical SMILES |
CC(C)(O)CNC(=O)CCNC(=O)C(O)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C27H26F3N5O6/c1-26(2,39)14-32-18(36)12-13-31-24(38)21(37)16-8-10-17(11-9-16)23-33-25(41-35-23)22-19(27(28,29)30)20(34-40-22)15-6-4-3-5-7-15/h3-11,21,37,39H,12-14H2,1-2H3,(H,31,38)(H,32,36)
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| InChIKey |
NCSSHEINVZSGIO-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