General Information of the Compound
| Compound ID |
CP0540694
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| Compound Name |
CHEMBL4585665
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| Formula |
C28H25N5O3
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| Molecular Weight |
479.54
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| Canonical SMILES |
COc1ccc(cc1)-c1c(Nc2ccon2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1
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| InChI |
InChI=1S/C28H25N5O3/c1-35-21-14-12-19(13-15-21)24-26(29-22-16-17-36-32-22)30-27-23(18-8-4-2-5-9-18)25(31-33(27)28(24)34)20-10-6-3-7-11-20/h3,6-8,10-17,30H,2,4-5,9H2,1H3,(H,29,32)
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| InChIKey |
UHUXPFZDYRJVEA-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