General Information of the Compound
| Compound ID |
CP0485918
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| Compound Name |
US9447038, 144
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| Structure |
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| Formula |
C29H36N2O6
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| Molecular Weight |
508.615
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| Canonical SMILES |
CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C29H36N2O6/c1-19(2)17-30(24(16-29(34)35)22-5-7-26-23(15-22)10-12-36-26)18-21-4-6-25(20(3)14-21)37-13-11-31-27(32)8-9-28(31)33/h4-7,14-15,19,24H,8-13,16-18H2,1-3H3,(H,34,35)
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| InChIKey |
SJZSPMGEEHPREY-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