General Information of the Compound
| Compound ID |
CP0488801
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| Compound Name |
US9062048, 57
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| Formula |
C24H27F3N6O3
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| Molecular Weight |
504.513
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| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)N3C(=O)CCC3=O)c2c1
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| InChI |
InChI=1S/C24H27F3N6O3/c25-24(26,27)14-1-6-19-18(9-14)23(30-13-29-19)28-10-20(34)31-15-11-32(12-15)16-2-4-17(5-3-16)33-21(35)7-8-22(33)36/h1,6,9,13,15-17H,2-5,7-8,10-12H2,(H,31,34)(H,28,29,30)/t16-,17+
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| InChIKey |
PULWFQZEEUNTEU-CALCHBBNSA-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