General Information of the Compound
| Compound ID |
CP0552501
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| Compound Name |
US9340500, I-076
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| Structure |
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| Formula |
C25H33F3N4O2
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| Molecular Weight |
478.559
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| Canonical SMILES |
Cc1c(cc(C2CCNCC2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H33F3N4O2/c1-18-22(24(33)30-21-5-2-4-20(16-21)25(26,27)28)17-23(19-6-8-29-9-7-19)32(18)11-3-10-31-12-14-34-15-13-31/h2,4-5,16-17,19,29H,3,6-15H2,1H3,(H,30,33)
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| InChIKey |
UHWGANGBODUJKW-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