General Information of the Compound
| Compound ID |
CP0015273
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| Compound Name |
N-[4-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]phenyl]pent-4-ynamide
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| Structure |
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| Formula |
C26H32N2O2
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| Molecular Weight |
404.554
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| Canonical SMILES |
CCCN(CCc1ccc(NC(=O)CCC#C)cc1)C1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C26H32N2O2/c1-3-5-9-26(30)27-22-12-10-20(11-13-22)16-18-28(17-4-2)23-14-15-24-21(19-23)7-6-8-25(24)29/h1,6-8,10-13,23,29H,4-5,9,14-19H2,2H3,(H,27,30)
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| InChIKey |
QLIGLWCIUGCMOC-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