General Information of the Compound
| Compound ID |
CP0406787
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| Compound Name |
US9212171, 14
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| Structure |
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| Formula |
C21H21FN2O
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| Molecular Weight |
336.41
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| Canonical SMILES |
CN1C(=O)C(CCC1(C)C)c1ccc(cn1)C#Cc1ccc(F)cc1
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| InChI |
InChI=1S/C21H21FN2O/c1-21(2)13-12-18(20(25)24(21)3)19-11-8-16(14-23-19)5-4-15-6-9-17(22)10-7-15/h6-11,14,18H,12-13H2,1-3H3
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| InChIKey |
FOSSAPOSUHCFIO-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