General Information of the Compound
| Compound ID |
CP0413519
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| Compound Name |
methyl (2S)-6-amino-2-[[3-amino-4-[[(2S)-2-amino-4-phenylbutanoyl]amino]benzoyl]amino]hexanoate
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| Structure |
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| Formula |
C24H33N5O4
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| Molecular Weight |
455.559
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| Canonical SMILES |
COC(=O)[C@H](CCCCN)NC(=O)c1ccc(NC(=O)[C@@H](N)CCc2ccccc2)c(N)c1
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| InChI |
InChI=1S/C24H33N5O4/c1-33-24(32)21(9-5-6-14-25)29-22(30)17-11-13-20(19(27)15-17)28-23(31)18(26)12-10-16-7-3-2-4-8-16/h2-4,7-8,11,13,15,18,21H,5-6,9-10,12,14,25-27H2,1H3,(H,28,31)(H,29,30)/t18-,21-/m0/s1
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| InChIKey |
QBEVLUKZLPOMES-RXVVDRJESA-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