General Information of the Compound
| Compound ID |
CP0416716
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| Compound Name |
5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
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| Structure |
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| Formula |
C27H38N2O5
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| Molecular Weight |
470.61
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| Canonical SMILES |
COc1ccc(CCNCCCC(C#N)(C(C)C)c2cc(OC)c(OC)c(OC)c2)cc1OC
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| InChI |
InChI=1S/C27H38N2O5/c1-19(2)27(18-28,21-16-24(32-5)26(34-7)25(17-21)33-6)12-8-13-29-14-11-20-9-10-22(30-3)23(15-20)31-4/h9-10,15-17,19,29H,8,11-14H2,1-7H3
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| InChIKey |
JBERDSXBGRTWOG-UHFFFAOYSA-N
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| CAS |
108050-23-3
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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