General Information of the Compound
| Compound ID |
CP0476814
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| Compound Name |
4-amino-3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]benzoic acid
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| Structure |
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| Formula |
C13H20N6O3
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| Molecular Weight |
308.342
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| Canonical SMILES |
N[C@@H](CCCNC(N)=N)C(=O)Nc1cc(ccc1N)C(O)=O
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| InChI |
InChI=1S/C13H20N6O3/c14-8-4-3-7(12(21)22)6-10(8)19-11(20)9(15)2-1-5-18-13(16)17/h3-4,6,9H,1-2,5,14-15H2,(H,19,20)(H,21,22)(H4,16,17,18)/t9-/m0/s1
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| InChIKey |
UEHRKPFCJFINDT-VIFPVBQESA-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