General Information of the Compound
| Compound ID |
CP0415409
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| Compound Name |
(S,R)-(+)-1-p-methoxyphenyl-2-(beta-3',5'-dihydroxyphenyl-beta-oxy)ethylaminopropane
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| Structure |
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| Formula |
C18H23NO4
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| Molecular Weight |
317.385
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| Canonical SMILES |
COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1
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| InChI |
InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18-/m1/s1
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| InChIKey |
WHAUNCTVVNUUIP-KZULUSFZSA-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