General Information of the Compound
| Compound ID |
CP0432281
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| Compound Name |
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl 2,7,7-trimethyl-5-oxo-4-(3-propan-2-ylphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C33H46N2O5
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| Molecular Weight |
550.74
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| Canonical SMILES |
CC(C)c1cccc(c1)C1C(C(=O)OCC2CCN(CC2)C(=O)OC(C)(C)C)=C(C)NC2=C1C(=O)CC(C)(C)C2
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| InChI |
InChI=1S/C33H46N2O5/c1-20(2)23-10-9-11-24(16-23)28-27(21(3)34-25-17-33(7,8)18-26(36)29(25)28)30(37)39-19-22-12-14-35(15-13-22)31(38)40-32(4,5)6/h9-11,16,20,22,28,34H,12-15,17-19H2,1-8H3
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| InChIKey |
RMXTYWFCEUYZBR-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