General Information of the Compound
| Compound ID |
CP0010488
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| Compound Name |
CHEMBL1947048
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| Formula |
C30H33NO3
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| Molecular Weight |
455.598
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| Canonical SMILES |
OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1cccc(O)c1
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| InChI |
InChI=1S/C30H33NO3/c32-25-9-5-8-22(16-25)29(33)19-31-23-14-15-24(31)18-26(17-23)34-30-27-10-3-1-6-20(27)12-13-21-7-2-4-11-28(21)30/h1-11,16,23-24,26,29-30,32-33H,12-15,17-19H2/t23-,24+,26+,29?
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| InChIKey |
YBHBANDUUNYIEK-WBFMPTLQSA-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