General Information of the Compound
| Compound ID |
CP0414327
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| Compound Name |
methyl (2S)-2-[(3,4-diaminobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate
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| Structure |
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| Formula |
C17H19N3O4
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| Molecular Weight |
329.356
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| Canonical SMILES |
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N)c(N)c1
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| InChI |
InChI=1S/C17H19N3O4/c1-24-17(23)15(8-10-2-5-12(21)6-3-10)20-16(22)11-4-7-13(18)14(19)9-11/h2-7,9,15,21H,8,18-19H2,1H3,(H,20,22)/t15-/m0/s1
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| InChIKey |
COPVCWOFXMSQCU-HNNXBMFYSA-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