General Information of the Compound
| Compound ID |
CP0392645
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| Compound Name |
6-[2-Hydroxy-3-(naphthalen-1-yloxy)-propylamino]-heptanoic acid (4-trifluoromethyl-phenyl)-amide(S,R)
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| Structure |
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| Formula |
C27H31F3N2O3
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| Molecular Weight |
488.55
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| Canonical SMILES |
C[C@H](CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NC[C@H](O)COc1cccc2ccccc12
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| InChI |
InChI=1S/C27H31F3N2O3/c1-19(7-2-5-12-26(34)32-22-15-13-21(14-16-22)27(28,29)30)31-17-23(33)18-35-25-11-6-9-20-8-3-4-10-24(20)25/h3-4,6,8-11,13-16,19,23,31,33H,2,5,7,12,17-18H2,1H3,(H,32,34)/t19-,23+/m1/s1
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| InChIKey |
MZPZPLOHGVBKAT-XXBNENTESA-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