General Information of the Compound
| Compound ID |
CP0561063
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| Compound Name |
US8637501, 19
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| Structure |
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| Formula |
C24H23FN4O2
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| Molecular Weight |
418.472
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| Canonical SMILES |
Cn1c2CNCCCc2c2ccc(cc12)-n1ccc(OCc2ccc(F)cn2)cc1=O
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| InChI |
InChI=1S/C24H23FN4O2/c1-28-22-11-18(6-7-21(22)20-3-2-9-26-14-23(20)28)29-10-8-19(12-24(29)30)31-15-17-5-4-16(25)13-27-17/h4-8,10-13,26H,2-3,9,14-15H2,1H3
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| InChIKey |
KQJDBJHDLSXISB-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