General Information of the Compound
| Compound ID |
CP0573645
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| Compound Name |
3-[[(3R,4S)-3-amino-4-hydroxy-5-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentyl]amino]propanoic acid
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| Structure |
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| Formula |
C26H39N5O7
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| Molecular Weight |
533.626
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| Canonical SMILES |
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCNCCC(O)=O
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| InChI |
InChI=1S/C26H39N5O7/c1-15(2)12-20(30-25(36)23(34)18(27)8-10-28-11-9-22(32)33)24(35)31-21(26(37)38-3)13-16-14-29-19-7-5-4-6-17(16)19/h4-7,14-15,18,20-21,23,28-29,34H,8-13,27H2,1-3H3,(H,30,36)(H,31,35)(H,32,33)/t18-,20+,21+,23+/m1/s1
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| InChIKey |
MKKYXMZTDFKYBR-ANZJIFDASA-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