General Information of the Compound
| Compound ID |
CP0549272
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| Compound Name |
US8618299, 45
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| Structure |
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| Formula |
C25H24FN5O2
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| Molecular Weight |
445.498
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| Canonical SMILES |
Cn1c2CCN3CCCC3c2c2ccc(nc12)-n1ccc(OCc2ccc(F)cn2)cc1=O
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| InChI |
InChI=1S/C25H24FN5O2/c1-29-20-9-11-30-10-2-3-21(30)24(20)19-6-7-22(28-25(19)29)31-12-8-18(13-23(31)32)33-15-17-5-4-16(26)14-27-17/h4-8,12-14,21H,2-3,9-11,15H2,1H3
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| InChIKey |
FMUBCVKNNHRYOT-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