General Information of the Compound
| Compound ID |
CP0414324
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| Compound Name |
methyl (2S)-6-amino-2-[[4-amino-3-[[(2S)-2-amino-4-methylpentanoyl]amino]benzoyl]amino]hexanoate
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| Structure |
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| Formula |
C20H33N5O4
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| Molecular Weight |
407.515
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| Canonical SMILES |
COC(=O)[C@H](CCCCN)NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CC(C)C)c1
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| InChI |
InChI=1S/C20H33N5O4/c1-12(2)10-15(23)19(27)25-17-11-13(7-8-14(17)22)18(26)24-16(20(28)29-3)6-4-5-9-21/h7-8,11-12,15-16H,4-6,9-10,21-23H2,1-3H3,(H,24,26)(H,25,27)/t15-,16-/m0/s1
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| InChIKey |
IWAUNRCIKSBKKY-HOTGVXAUSA-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