General Information of the Compound
| Compound ID |
CP0312498
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| Compound Name |
US11078186, Example 106
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| Structure |
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| Formula |
C29H27F7N2O3
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| Molecular Weight |
584.532
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| Canonical SMILES |
COc1ccc(CNC(=O)N2C[C@@H](c3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)[C@](C)(C2)c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C29H27F7N2O3/c1-26(20-9-11-22(30)12-10-20)17-38(25(39)37-15-18-3-13-23(41-2)14-4-18)16-24(26)19-5-7-21(8-6-19)27(40,28(31,32)33)29(34,35)36/h3-14,24,40H,15-17H2,1-2H3,(H,37,39)/t24-,26+/m0/s1
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| InChIKey |
ZJWOHCMGUADUFY-AZGAKELHSA-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