General Information of the Compound
| Compound ID |
CP0498157
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| Compound Name |
4-{(S)-2-Hydroxy-3-[3-(4-methoxy-phenyl)-propylamino]-propoxy}-phenol
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| Structure |
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| Formula |
C19H25NO4
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| Molecular Weight |
331.412
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| Canonical SMILES |
COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C19H25NO4/c1-23-18-8-4-15(5-9-18)3-2-12-20-13-17(22)14-24-19-10-6-16(21)7-11-19/h4-11,17,20-22H,2-3,12-14H2,1H3/t17-/m0/s1
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| InChIKey |
JKIMMHVNXRAOAO-KRWDZBQOSA-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