General Information of the Compound
| Compound ID |
CP0440898
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| Compound Name |
US10118902, Example 18
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| Structure |
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| Formula |
C25H29FN4O
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| Molecular Weight |
420.532
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| Canonical SMILES |
COc1ccccc1C1CCN(CC1)c1nc(nc2ccc(cc12)N(C)C)C1(F)CC1
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| InChI |
InChI=1S/C25H29FN4O/c1-29(2)18-8-9-21-20(16-18)23(28-24(27-21)25(26)12-13-25)30-14-10-17(11-15-30)19-6-4-5-7-22(19)31-3/h4-9,16-17H,10-15H2,1-3H3
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| InChIKey |
KVJNSWIBANBSKY-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