General Information of the Compound
| Compound ID |
CP0556157
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| Compound Name |
US9163012, 16
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| Structure |
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| Formula |
C25H33NO5
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| Molecular Weight |
427.541
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| Canonical SMILES |
OC(=O)COCC1(CCN(CC1)C(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1
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| InChI |
InChI=1S/C25H33NO5/c27-22(28)15-30-16-25(21-4-2-1-3-5-21)6-8-26(9-7-25)24(29)31-23-19-11-17-10-18(13-19)14-20(23)12-17/h1-5,17-20,23H,6-16H2,(H,27,28)
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| InChIKey |
ZQJIBAWEZNKRIL-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