General Information of the Compound
| Compound ID |
CP0520581
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| Compound Name |
US9012651, 250
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| Structure |
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| Formula |
C18H25FN4O3
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| Molecular Weight |
364.421
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cnn(CC2OCCO2)c1
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| InChI |
InChI=1S/C18H25FN4O3/c1-12(2)17(11-24)20-8-16-14(19)3-4-15(22-16)13-7-21-23(9-13)10-18-25-5-6-26-18/h3-4,7,9,12,17-18,20,24H,5-6,8,10-11H2,1-2H3/t17-/m0/s1
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| InChIKey |
VCXUCWROUDYSSP-KRWDZBQOSA-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