General Information of the Compound
| Compound ID |
CP0575796
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| Compound Name |
US11078186, Example 24
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| Structure |
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| Formula |
C28H25F7N2O3
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| Molecular Weight |
570.505
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| Canonical SMILES |
OC[C@@]1(CN(C[C@H]1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCc1ccccc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H25F7N2O3/c29-22-12-10-20(11-13-22)25(17-38)16-37(24(39)36-14-18-4-2-1-3-5-18)15-23(25)19-6-8-21(9-7-19)26(40,27(30,31)32)28(33,34)35/h1-13,23,38,40H,14-17H2,(H,36,39)/t23-,25-/m0/s1
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| InChIKey |
UFZXWMPAZINOKM-ZCYQVOJMSA-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