General Information of the Compound
| Compound ID |
CP0471837
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| Compound Name |
2-[[(2R)-1-[4-[(4-methoxycarbonylphenyl)methoxy]phenyl]propan-2-yl]-methylamino]acetic acid
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| Structure |
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| Formula |
C21H25NO5
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| Molecular Weight |
371.433
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| Canonical SMILES |
COC(=O)c1ccc(COc2ccc(C[C@@H](C)N(C)CC(O)=O)cc2)cc1
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| InChI |
InChI=1S/C21H25NO5/c1-15(22(2)13-20(23)24)12-16-6-10-19(11-7-16)27-14-17-4-8-18(9-5-17)21(25)26-3/h4-11,15H,12-14H2,1-3H3,(H,23,24)/t15-/m1/s1
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| InChIKey |
HLKXOMQMUCQZGN-OAHLLOKOSA-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