General Information of the Compound
| Compound ID |
CP0574513
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| Compound Name |
methyl (2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-5-(1,3-dihydroxypropan-2-ylamino)-2-hydroxypentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate
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| Structure |
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| Formula |
C26H41N5O7
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| Molecular Weight |
535.642
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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)CCNC(CO)CO
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| InChI |
InChI=1S/C26H41N5O7/c1-15(2)10-21(30-25(36)23(34)19(27)8-9-28-17(13-32)14-33)24(35)31-22(26(37)38-3)11-16-12-29-20-7-5-4-6-18(16)20/h4-7,12,15,17,19,21-23,28-29,32-34H,8-11,13-14,27H2,1-3H3,(H,30,36)(H,31,35)/t19-,21+,22+,23+/m1/s1
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| InChIKey |
KPRHLZJHLVAMAH-SWUCNREESA-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