General Information of the Compound
| Compound ID |
CP0508029
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| Compound Name |
benzyl (2S)-2-[(3,4-diaminobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
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| Structure |
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| Formula |
C25H24N4O3
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| Molecular Weight |
428.492
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| Canonical SMILES |
Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C25H24N4O3/c26-20-11-10-17(12-21(20)27)24(30)29-23(25(31)32-15-16-6-2-1-3-7-16)13-18-14-28-22-9-5-4-8-19(18)22/h1-12,14,23,28H,13,15,26-27H2,(H,29,30)/t23-/m0/s1
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| InChIKey |
AFFIXHMSBIOQPX-QHCPKHFHSA-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: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase