General Information of the Compound
| Compound ID |
CP0445952
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| Compound Name |
methyl (2S)-2-[[3-amino-4-[[(2S)-2-amino-4-phenylbutanoyl]amino]benzoyl]amino]-5-(diaminomethylideneamino)pentanoate
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| Structure |
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| Formula |
C24H33N7O4
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| Molecular Weight |
483.573
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| Canonical SMILES |
COC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(NC(=O)[C@@H](N)CCc2ccccc2)c(N)c1
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| InChI |
InChI=1S/C24H33N7O4/c1-35-23(34)20(8-5-13-29-24(27)28)31-21(32)16-10-12-19(18(26)14-16)30-22(33)17(25)11-9-15-6-3-2-4-7-15/h2-4,6-7,10,12,14,17,20H,5,8-9,11,13,25-26H2,1H3,(H,30,33)(H,31,32)(H4,27,28,29)/t17-,20-/m0/s1
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| InChIKey |
RGOOEDGHYNFQAW-PXNSSMCTSA-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
Protein ID: PT04212, Endoplasmic reticulum aminopeptidase 1
Protein ID: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase