General Information of the Compound
| Compound ID |
CP0518131
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| Compound Name |
2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]amino]acetic acid
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| Structure |
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| Formula |
C21H25N3O4
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| Molecular Weight |
383.448
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| Canonical SMILES |
CN([C@@H](Cc1ccccc1)C(=O)NCC(O)=O)C(=O)[C@@H](N)Cc1ccccc1
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| InChI |
InChI=1S/C21H25N3O4/c1-24(21(28)17(22)12-15-8-4-2-5-9-15)18(20(27)23-14-19(25)26)13-16-10-6-3-7-11-16/h2-11,17-18H,12-14,22H2,1H3,(H,23,27)(H,25,26)/t17-,18-/m0/s1
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| InChIKey |
BCNJSUNOVYCMEL-ROUUACIJSA-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