General Information of the Compound
| Compound ID |
CP0509048
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| Compound Name |
US9012651, 253
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| Structure |
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| Formula |
C21H29FN4O2
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| Molecular Weight |
388.487
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cnc(N2CCOCC2)c(C)c1
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| InChI |
InChI=1S/C21H29FN4O2/c1-14(2)20(13-27)23-12-19-17(22)4-5-18(25-19)16-10-15(3)21(24-11-16)26-6-8-28-9-7-26/h4-5,10-11,14,20,23,27H,6-9,12-13H2,1-3H3/t20-/m0/s1
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| InChIKey |
WSKDMRAZBVILPE-FQEVSTJZSA-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