General Information of the Compound
| Compound ID |
CP0465025
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| Compound Name |
(2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]acetic acid
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| Structure |
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| Formula |
C23H29NO4
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| Molecular Weight |
383.488
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| Canonical SMILES |
CCCC(C)COc1ccc(cc1)[C@@H](NC(=O)[C@@H](C)c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C23H29NO4/c1-4-8-16(2)15-28-20-13-11-19(12-14-20)21(23(26)27)24-22(25)17(3)18-9-6-5-7-10-18/h5-7,9-14,16-17,21H,4,8,15H2,1-3H3,(H,24,25)(H,26,27)/t16?,17-,21+/m0/s1
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| InChIKey |
UPRGIWXDKNCGLI-HBRZWPCVSA-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