General Information of the Compound
| Compound ID |
CP0569772
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-(2-hydroxyphenoxy)pentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
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| Structure |
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| Formula |
C28H36N4O7
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| Molecular Weight |
540.617
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCOc1ccccc1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
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| InChI |
InChI=1S/C28H36N4O7/c1-16(2)13-21(31-27(36)25(34)19(29)11-12-39-24-10-6-5-9-23(24)33)26(35)32-22(28(37)38)14-17-15-30-20-8-4-3-7-18(17)20/h3-10,15-16,19,21-22,25,30,33-34H,11-14,29H2,1-2H3,(H,31,36)(H,32,35)(H,37,38)/t19-,21+,22+,25+/m1/s1
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| InChIKey |
PQYPBOWQWFVVJD-AXJZPPOTSA-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: PT05005, Interleukin-1 receptor antagonist protein