General Information of the Compound
| Compound ID |
CP0466646
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| Compound Name |
1-adamantyl 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 |
C29H34BrNO3
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| Molecular Weight |
524.499
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| Canonical SMILES |
CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cccc(Br)c1)C(=O)OC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C29H34BrNO3/c1-16-24(27(33)34-29-11-17-7-18(12-29)9-19(8-17)13-29)25(20-5-4-6-21(30)10-20)26-22(31-16)14-28(2,3)15-23(26)32/h4-6,10,17-19,25,31H,7-9,11-15H2,1-3H3
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| InChIKey |
JOEWKYLGWCSQPS-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