General Information of the Compound
| Compound ID |
CP0568256
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| Compound Name |
(4R,5S)-4-amino-6-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-hydroxy-6-oxohexanoic acid
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| Structure |
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| Formula |
C23H32N4O7
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| Molecular Weight |
476.53
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
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| InChI |
InChI=1S/C23H32N4O7/c1-12(2)9-17(26-22(32)20(30)15(24)7-8-19(28)29)21(31)27-18(23(33)34)10-13-11-25-16-6-4-3-5-14(13)16/h3-6,11-12,15,17-18,20,25,30H,7-10,24H2,1-2H3,(H,26,32)(H,27,31)(H,28,29)(H,33,34)/t15-,17+,18+,20+/m1/s1
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| InChIKey |
SQLMZUVREWIOLY-HYJFEMIMSA-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