General Information of the Compound
| Compound ID |
CP0473797
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| Compound Name |
2-[methyl-[(2R)-1-[4-(naphthalen-2-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid
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| Structure |
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| Formula |
C23H25NO3
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| Molecular Weight |
363.457
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| Canonical SMILES |
C[C@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)N(C)CC(O)=O
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| InChI |
InChI=1S/C23H25NO3/c1-17(24(2)15-23(25)26)13-18-8-11-22(12-9-18)27-16-19-7-10-20-5-3-4-6-21(20)14-19/h3-12,14,17H,13,15-16H2,1-2H3,(H,25,26)/t17-/m1/s1
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| InChIKey |
LOYPOHCKDCBHQV-QGZVFWFLSA-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