General Information of the Compound
| Compound ID |
CP0537454
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| Compound Name |
cyclohexyl 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 |
C27H33NO5
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| Molecular Weight |
451.563
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| Canonical SMILES |
CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc2OCCOc2c1)C(=O)OC1CCCCC1
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| InChI |
InChI=1S/C27H33NO5/c1-16-23(26(30)33-18-7-5-4-6-8-18)24(17-9-10-21-22(13-17)32-12-11-31-21)25-19(28-16)14-27(2,3)15-20(25)29/h9-10,13,18,24,28H,4-8,11-12,14-15H2,1-3H3
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| InChIKey |
GRGUUJYIFXXNQN-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