General Information of the Compound
| Compound ID |
CP0434121
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| Compound Name |
methyl (1R,2S)-2-(4-tert-butylphenyl)cycloheptane-1-carboxylate
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| Structure |
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| Formula |
C19H28O2
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| Molecular Weight |
288.431
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| Canonical SMILES |
COC(=O)[C@@H]1CCCCC[C@@H]1c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C19H28O2/c1-19(2,3)15-12-10-14(11-13-15)16-8-6-5-7-9-17(16)18(20)21-4/h10-13,16-17H,5-9H2,1-4H3/t16-,17-/m1/s1
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| InChIKey |
CJOTYXSOAIOWPI-IAGOWNOFSA-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