General Information of the Compound
| Compound ID |
CP0414786
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| Compound Name |
6-[2-Hydroxy-3-(naphthalen-1-yloxy)-propylamino]-heptanoic acid p-tolylamide(S,S)
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| Structure |
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| Formula |
C27H34N2O3
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| Molecular Weight |
434.58
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| Canonical SMILES |
C[C@@H](CCCCC(=O)Nc1ccc(C)cc1)NC[C@H](O)COc1cccc2ccccc12
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| InChI |
InChI=1S/C27H34N2O3/c1-20-14-16-23(17-15-20)29-27(31)13-6-3-8-21(2)28-18-24(30)19-32-26-12-7-10-22-9-4-5-11-25(22)26/h4-5,7,9-12,14-17,21,24,28,30H,3,6,8,13,18-19H2,1-2H3,(H,29,31)/t21-,24-/m0/s1
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| InChIKey |
GYGLUIKOLCBIDX-URXFXBBRSA-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