General Information of the Compound
| Compound ID |
CP0907780
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| Compound Name |
(S)-2-(3,4-Diaminobenzamido)-3-(1H-indol-3-yl)propanoic Acid
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| Structure |
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| Formula |
C18H18N4O3
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| Molecular Weight |
338.367
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| Canonical SMILES |
Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1N
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| InChI |
InChI=1S/C18H18N4O3/c19-13-6-5-10(7-14(13)20)17(23)22-16(18(24)25)8-11-9-21-15-4-2-1-3-12(11)15/h1-7,9,16,21H,8,19-20H2,(H,22,23)(H,24,25)/t16-/m0/s1
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| InChIKey |
QKWGWGPPWPQNFZ-INIZCTEOSA-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