General Information of the Compound
| Compound ID |
CP0525683
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| Compound Name |
US9447038, 1
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| Structure |
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| Formula |
C29H36N2O7
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| Molecular Weight |
524.614
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| Canonical SMILES |
COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C29H36N2O7/c1-19(2)17-30(23(16-29(34)35)21-5-7-24-22(15-21)10-12-37-24)18-20-4-6-25(26(14-20)36-3)38-13-11-31-27(32)8-9-28(31)33/h4-7,14-15,19,23H,8-13,16-18H2,1-3H3,(H,34,35)
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| InChIKey |
ZEXUFBYOIYYCJZ-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