General Information of the Compound
| Compound ID |
CP0483688
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| Compound Name |
US9012651, 52
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| Structure |
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| Formula |
C25H34FN3O2
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| Molecular Weight |
427.564
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cccc(c1)C(=O)N(C)C1CCCCC1
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| InChI |
InChI=1S/C25H34FN3O2/c1-17(2)24(16-30)27-15-23-21(26)12-13-22(28-23)18-8-7-9-19(14-18)25(31)29(3)20-10-5-4-6-11-20/h7-9,12-14,17,20,24,27,30H,4-6,10-11,15-16H2,1-3H3/t24-/m0/s1
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| InChIKey |
VKOGBADXHDPVPV-DEOSSOPVSA-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