General Information of the Compound
| Compound ID |
CP0438149
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| Compound Name |
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C32H42N2O7
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| Molecular Weight |
566.695
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| Canonical SMILES |
CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc2OCCOc2c1)C(=O)OCC1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C32H42N2O7/c1-19-26(29(36)40-18-20-9-11-34(12-10-20)30(37)41-31(2,3)4)27(21-7-8-24-25(15-21)39-14-13-38-24)28-22(33-19)16-32(5,6)17-23(28)35/h7-8,15,20,27,33H,9-14,16-18H2,1-6H3
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| InChIKey |
KLZQXIFZFJORDY-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