General Information of the Compound
| Compound ID |
CP0516516
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| Compound Name |
6-[2-(1-adamantyl)ethoxy]-2-ethoxycarbonyl-N-methyl-3-phenylinden-1-imine oxide
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| Structure |
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| Formula |
C31H35NO4
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| Molecular Weight |
485.624
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| Canonical SMILES |
CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCC34CC5CC(CC(C5)C3)C4)cc2[c-]1[N+](C)=O
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| InChI |
InChI=1S/C31H35NO4/c1-3-35-30(33)28-27(23-7-5-4-6-8-23)25-10-9-24(16-26(25)29(28)32(2)34)36-12-11-31-17-20-13-21(18-31)15-22(14-20)19-31/h4-10,16,20-22H,3,11-15,17-19H2,1-2H3/b32-29+
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| InChIKey |
DWKPGZKNTZARRC-UUDCSCGESA-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