General Information of the Compound
| Compound ID |
CP0565728
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| Compound Name |
US9315518, 18-42
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| Structure |
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| Formula |
C28H35F3N4O3
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| Molecular Weight |
532.607
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| Canonical SMILES |
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1CCC(C)(C)C(C1)NC(=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C28H35F3N4O3/c1-26(2,3)16-35-21-12-11-20(32-23(21)34(6)25(35)37)18-13-14-27(4,5)22(15-18)33-24(36)17-7-9-19(10-8-17)38-28(29,30)31/h7-12,18,22H,13-16H2,1-6H3,(H,33,36)
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| InChIKey |
KLZWZCINHLIPCJ-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