General Information of the Compound
| Compound ID |
CP0518947
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| Compound Name |
US8772323, 69
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| Structure |
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| Formula |
C29H34N4O5
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| Molecular Weight |
518.614
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| Canonical SMILES |
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCC2CCN(CC2)C(=O)OC(C)(C)C)c1
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| InChI |
InChI=1S/C29H34N4O5/c1-18-14-25(34)31-32-26(18)20-8-9-23-24(16-20)37-27(30-23)21-6-5-7-22(15-21)36-17-19-10-12-33(13-11-19)28(35)38-29(2,3)4/h5-9,15-16,18-19H,10-14,17H2,1-4H3,(H,31,34)
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| InChIKey |
UROKLYHNUGWRIC-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