General Information of the Compound
| Compound ID |
CP0889540
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| Compound Name |
rac-4-Methoxybenzyl 4-(Biphenyl-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C33H33NO4
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| Molecular Weight |
507.63
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| Canonical SMILES |
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)C2c2ccc(-c3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C33H33NO4/c1-21-29(32(36)38-20-22-10-16-26(37-4)17-11-22)30(31-27(34-21)18-33(2,3)19-28(31)35)25-14-12-24(13-15-25)23-8-6-5-7-9-23/h5-17,30,34H,18-20H2,1-4H3
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| InChIKey |
KWRLMPIRYMLKEJ-UHFFFAOYSA-N
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| CAS |
5805-16-3
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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