General Information of the Compound
| Compound ID |
CP0547609
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| Compound Name |
US8772323, 55
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| Structure |
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| Formula |
C23H26N4O3
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| Molecular Weight |
406.486
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN(C)C)cc1
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| InChI |
InChI=1S/C23H26N4O3/c1-4-15-14-21(28)25-26-22(15)17-7-10-19-20(13-17)30-23(24-19)16-5-8-18(9-6-16)29-12-11-27(2)3/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,25,28)
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| InChIKey |
DFTTYRUTVWMLDU-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