General Information of the Compound
| Compound ID |
CP0503782
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| Compound Name |
US8802663, 138
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| Structure |
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| Formula |
C20H24N4O3
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| Molecular Weight |
368.437
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| Canonical SMILES |
COCc1c(cnn1C1CCCCC1)-c1nc(no1)-c1cccc(CO)c1
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| InChI |
InChI=1S/C20H24N4O3/c1-26-13-18-17(11-21-24(18)16-8-3-2-4-9-16)20-22-19(23-27-20)15-7-5-6-14(10-15)12-25/h5-7,10-11,16,25H,2-4,8-9,12-13H2,1H3
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| InChIKey |
FTCUTSOFZVRXPG-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