General Information of the Compound
| Compound ID |
CP0518029
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| Compound Name |
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl 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 |
C31H41BrN2O5
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| Molecular Weight |
601.582
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| Canonical SMILES |
CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cccc(Br)c1)C(=O)OCCC1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C31H41BrN2O5/c1-19-25(28(36)38-15-12-20-10-13-34(14-11-20)29(37)39-30(2,3)4)26(21-8-7-9-22(32)16-21)27-23(33-19)17-31(5,6)18-24(27)35/h7-9,16,20,26,33H,10-15,17-18H2,1-6H3
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| InChIKey |
HXQGZTZNMFQCIP-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