General Information of the Compound
| Compound ID |
CP0495044
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| Compound Name |
N-[[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(nonanoylamino)methyl]phenyl]-5-methoxyphenyl]methyl]nonanamide
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| Structure |
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| Formula |
C34H52N2O6
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| Molecular Weight |
584.798
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| Canonical SMILES |
CCCCCCCCC(=O)NCc1cc(OC)c(O)c(c1)-c1cc(CNC(=O)CCCCCCCC)cc(OC)c1O
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| InChI |
InChI=1S/C34H52N2O6/c1-5-7-9-11-13-15-17-31(37)35-23-25-19-27(33(39)29(21-25)41-3)28-20-26(22-30(42-4)34(28)40)24-36-32(38)18-16-14-12-10-8-6-2/h19-22,39-40H,5-18,23-24H2,1-4H3,(H,35,37)(H,36,38)
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| InChIKey |
UPHWRBUJFNEXQS-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