General Information of the Compound
| Compound ID |
CP0251706
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| Compound Name |
US9012461, 31
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| Structure |
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| Formula |
C28H32F3N5O
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| Molecular Weight |
511.592
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| Canonical SMILES |
CCN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C28H32F3N5O/c1-2-36-15-13-21(14-16-36)20-7-10-23(11-8-20)34-27-33-18-24(28(29,30)31)25(35-27)12-9-19-5-3-4-6-22(19)17-26(32)37/h3-8,10-11,18,21H,2,9,12-17H2,1H3,(H2,32,37)(H,33,34,35)
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| InChIKey |
CLQDELRRTBIBQB-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