General Information of the Compound
| Compound ID |
CP0498036
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| Compound Name |
US9469631, 34
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| Structure |
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| Formula |
C26H29FN4O3
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| Molecular Weight |
464.541
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(c(F)c1)-c1ccncc1C#N
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| InChI |
InChI=1S/C26H29FN4O3/c1-26(2,3)34-25(33)30-12-9-20(10-13-30)31(19-5-6-19)24(32)17-4-7-22(23(27)14-17)21-8-11-29-16-18(21)15-28/h4,7-8,11,14,16,19-20H,5-6,9-10,12-13H2,1-3H3
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| InChIKey |
VYDHPVKFYGVIDU-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