General Information of the Compound
| Compound ID |
CP0512662
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| Compound Name |
US8772323, 54
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| Structure |
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| Formula |
C26H29N3O3
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| Molecular Weight |
431.536
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC2CCCCC2)cc1
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| InChI |
InChI=1S/C26H29N3O3/c1-2-18-15-24(30)28-29-25(18)20-10-13-22-23(14-20)32-26(27-22)19-8-11-21(12-9-19)31-16-17-6-4-3-5-7-17/h8-14,17-18H,2-7,15-16H2,1H3,(H,28,30)
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| InChIKey |
PYNSEOVAOBZFNF-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