General Information of the Compound
| Compound ID |
CP0413508
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| Compound Name |
(2S)-2-[[4-amino-3-[[(2S)-2-amino-4-(4-hydroxyphenyl)butanoyl]amino]benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid
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| Structure |
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| Formula |
C28H29N5O5
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| Molecular Weight |
515.57
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| Canonical SMILES |
N[C@@H](CCc1ccc(O)cc1)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
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| InChI |
InChI=1S/C28H29N5O5/c29-21-12-8-17(13-24(21)32-27(36)22(30)11-7-16-5-9-19(34)10-6-16)26(35)33-25(28(37)38)14-18-15-31-23-4-2-1-3-20(18)23/h1-6,8-10,12-13,15,22,25,31,34H,7,11,14,29-30H2,(H,32,36)(H,33,35)(H,37,38)/t22-,25-/m0/s1
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| InChIKey |
LNNUPVVINPNLMQ-DHLKQENFSA-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