General Information of the Compound
| Compound ID |
CP0905445
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| Compound Name |
rac-Methyl 4-(4-tert-Butylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C24H31NO3
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| Molecular Weight |
381.516
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| Canonical SMILES |
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(C(C)(C)C)cc1
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| InChI |
InChI=1S/C24H31NO3/c1-14-19(22(27)28-7)20(15-8-10-16(11-9-15)23(2,3)4)21-17(25-14)12-24(5,6)13-18(21)26/h8-11,20,25H,12-13H2,1-7H3
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| InChIKey |
VFEQGGVHFUTNAA-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