General Information of the Compound
| Compound ID |
CP0576739
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| Compound Name |
methyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate
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| Structure |
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| Formula |
C24H25NO3
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| Molecular Weight |
375.468
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| Canonical SMILES |
COC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C24H25NO3/c1-28-24(27)23(16-19-12-14-22(26)15-13-19)25(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-15,23,26H,16-18H2,1H3/t23-/m0/s1
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| InChIKey |
BFNSSQWDQAAEJR-QHCPKHFHSA-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