General Information of the Compound
| Compound ID |
CP0574689
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| Compound Name |
US8772323, 181
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| Structure |
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| Formula |
C23H23N3O4
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| Molecular Weight |
405.454
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC2CCOC2)cc1
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| InChI |
InChI=1S/C23H23N3O4/c1-2-14-12-21(27)25-26-22(14)16-5-8-19-20(11-16)30-23(24-19)15-3-6-17(7-4-15)29-18-9-10-28-13-18/h3-8,11,14,18H,2,9-10,12-13H2,1H3,(H,25,27)
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| InChIKey |
YGXNSORNXNCSOR-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