General Information of the Compound
Compound ID |
CP0488802
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Compound Name |
US9062048, 58
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Formula |
C26H28F3N5O2
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Molecular Weight |
499.537
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Canonical SMILES |
FC(F)(F)c1ccc2nccc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)n3ccccc3=O)c2c1
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InChI |
InChI=1S/C26H28F3N5O2/c27-26(28,29)17-4-9-22-21(13-17)23(10-11-30-22)31-14-24(35)32-18-15-33(16-18)19-5-7-20(8-6-19)34-12-2-1-3-25(34)36/h1-4,9-13,18-20H,5-8,14-16H2,(H,30,31)(H,32,35)/t19-,20+
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InChIKey |
HWIXSXBPXFWGQM-BGYRXZFFSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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