General Information of the Compound
| Compound ID |
CP0469976
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| Compound Name |
US9163012, 11
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| Structure |
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| Formula |
C24H31NO4
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| Molecular Weight |
397.515
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| Canonical SMILES |
COC(=O)C1(CCN(CC1)C(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1
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| InChI |
InChI=1S/C24H31NO4/c1-28-22(26)24(20-5-3-2-4-6-20)7-9-25(10-8-24)23(27)29-21-18-12-16-11-17(14-18)15-19(21)13-16/h2-6,16-19,21H,7-15H2,1H3
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| InChIKey |
KFKXZWXRJWUCIZ-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