General Information of the Compound
Compound ID |
CP0554139
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Compound Name |
US9062048, 34
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Formula |
C22H25F6N5O2
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Molecular Weight |
505.463
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Canonical SMILES |
OC([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)C(F)(F)F
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InChI |
InChI=1S/C22H25F6N5O2/c23-21(24,25)13-3-6-17-16(7-13)20(31-11-30-17)29-8-18(34)32-14-9-33(10-14)15-4-1-12(2-5-15)19(35)22(26,27)28/h3,6-7,11-12,14-15,19,35H,1-2,4-5,8-10H2,(H,32,34)(H,29,30,31)/t12-,15+,19?
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InChIKey |
UGPDICGCZGEZCD-ZHDLXYNCSA-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