General Information of the Compound
Compound ID |
CP0550555
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Compound Name |
US9062048, 121
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Formula |
C23H30F3N5O2
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Molecular Weight |
465.52
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Canonical SMILES |
COCC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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InChI |
InChI=1S/C23H30F3N5O2/c1-33-9-8-15-2-5-18(6-3-15)31-12-17(13-31)30-21(32)11-27-22-19-10-16(23(24,25)26)4-7-20(19)28-14-29-22/h4,7,10,14-15,17-18H,2-3,5-6,8-9,11-13H2,1H3,(H,30,32)(H,27,28,29)/t15-,18+
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InChIKey |
ZEBUJCZHXXTNIW-RHNCMZPLSA-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