General Information of the Compound
| Compound ID |
CP0009089
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| Compound Name |
CHEMBL1947047
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| Formula |
C30H33NO2
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| Molecular Weight |
439.599
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| Canonical SMILES |
OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C30H33NO2/c32-29(23-10-2-1-3-11-23)20-31-24-16-17-25(31)19-26(18-24)33-30-27-12-6-4-8-21(27)14-15-22-9-5-7-13-28(22)30/h1-13,24-26,29-30,32H,14-20H2/t24-,25+,26+,29?
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| InChIKey |
VUFNUKBMMACISY-YIQUMBJJSA-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