General Information of the Compound
| Compound ID |
CP0413517
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| Compound Name |
(2S)-2-[[4-amino-3-[[(2S)-2-aminohexanoyl]amino]benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid
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| Structure |
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| Formula |
C24H29N5O4
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| Molecular Weight |
451.527
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| Canonical SMILES |
CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
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| InChI |
InChI=1S/C24H29N5O4/c1-2-3-7-18(26)23(31)28-20-11-14(9-10-17(20)25)22(30)29-21(24(32)33)12-15-13-27-19-8-5-4-6-16(15)19/h4-6,8-11,13,18,21,27H,2-3,7,12,25-26H2,1H3,(H,28,31)(H,29,30)(H,32,33)/t18-,21-/m0/s1
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| InChIKey |
LWRHRPQZYICICQ-RXVVDRJESA-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