General Information of the Compound
| Compound ID |
CP0563164
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| Compound Name |
US9428456, 1.318
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| Structure |
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| Formula |
C25H32FN3O2
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| Molecular Weight |
425.548
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| Canonical SMILES |
Cc1cc(CN2CCC(CC2)C(=O)NC(C)(C)C)cc(NC(=O)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C25H32FN3O2/c1-17-13-18(15-22(14-17)27-23(30)19-5-7-21(26)8-6-19)16-29-11-9-20(10-12-29)24(31)28-25(2,3)4/h5-8,13-15,20H,9-12,16H2,1-4H3,(H,27,30)(H,28,31)
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| InChIKey |
YROMETSQQIZMQD-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