General Information of the Compound
| Compound ID |
CP0425287
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| Compound Name |
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methyl-2-(4,8,12-trimethyltridecyl)cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C29H49NO3
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| Molecular Weight |
459.715
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| Canonical SMILES |
COc1cc(CNC(=O)C2CC2(C)CCCC(C)CCCC(C)CCCC(C)C)ccc1O
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| InChI |
InChI=1S/C29H49NO3/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-17-29(5)19-25(29)28(32)30-20-24-15-16-26(31)27(18-24)33-6/h15-16,18,21-23,25,31H,7-14,17,19-20H2,1-6H3,(H,30,32)
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| InChIKey |
OTLLMFQRSOBYEX-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