General Information of the Compound
| Compound ID |
CP0572289
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| Compound Name |
US9428456, 4.019
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| Structure |
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| Formula |
C24H31FN4O2
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| Molecular Weight |
426.536
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| Canonical SMILES |
Cc1cncc(c1)C(=O)Nc1ccc(F)c(CN2CCC(CC2)C(=O)NC(C)(C)C)c1
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| InChI |
InChI=1S/C24H31FN4O2/c1-16-11-18(14-26-13-16)22(30)27-20-5-6-21(25)19(12-20)15-29-9-7-17(8-10-29)23(31)28-24(2,3)4/h5-6,11-14,17H,7-10,15H2,1-4H3,(H,27,30)(H,28,31)
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| InChIKey |
AKPQWVFYNAMCKR-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