General Information of the Compound
| Compound ID |
CP0492719
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| Compound Name |
(4-tert-butylphenyl)methyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C30H34BrNO3
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| Molecular Weight |
536.51
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| Canonical SMILES |
CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cccc(Br)c1)C(=O)OCc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C30H34BrNO3/c1-18-25(28(34)35-17-19-10-12-21(13-11-19)29(2,3)4)26(20-8-7-9-22(31)14-20)27-23(32-18)15-30(5,6)16-24(27)33/h7-14,26,32H,15-17H2,1-6H3
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| InChIKey |
BJYUXDRYFZRZQC-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