General Information of the Compound
| Compound ID |
CP0539356
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| Compound Name |
US9012651, 88
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| Structure |
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| Formula |
C20H23F4N3O
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| Molecular Weight |
397.416
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| Canonical SMILES |
OC[C@H](NCc1nc(ccc1F)-c1ccc(nc1)C(F)(F)F)C1CCCCC1
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| InChI |
InChI=1S/C20H23F4N3O/c21-15-7-8-16(14-6-9-19(26-10-14)20(22,23)24)27-17(15)11-25-18(12-28)13-4-2-1-3-5-13/h6-10,13,18,25,28H,1-5,11-12H2/t18-/m0/s1
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| InChIKey |
RGRCNMDCNMNHQV-SFHVURJKSA-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