General Information of the Compound
| Compound ID |
CP0564456
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| Compound Name |
US9446130, 4
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| Structure |
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| Formula |
C28H25F3N8O2
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| Molecular Weight |
562.556
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| Canonical SMILES |
CCn1ncc2c1CCCC2(O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C28H25F3N8O2/c1-2-39-20-4-3-10-27(41,19(20)15-35-39)26-37-22(23-24(32)34-12-13-38(23)26)16-5-7-17(8-6-16)25(40)36-21-14-18(9-11-33-21)28(29,30)31/h5-9,11-15,41H,2-4,10H2,1H3,(H2,32,34)(H,33,36,40)
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| InChIKey |
SLAGYHVTVHEHQY-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