General Information of the Compound
| Compound ID |
CP0561992
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| Compound Name |
CHEMBL4848746
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| Formula |
C25H21N5O3
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| Molecular Weight |
439.475
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| Canonical SMILES |
CC#CC(=O)N1CC(C1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C25H21N5O3/c1-2-6-21(31)29-14-17(15-29)20-13-27-30-23(24(26)32)22(28-25(20)30)16-9-11-19(12-10-16)33-18-7-4-3-5-8-18/h3-5,7-13,17,28H,14-15H2,1H3,(H2,26,32)
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| InChIKey |
XTSLCIVKEVXGQT-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