General Information of the Compound
| Compound ID |
CP0386653
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| Compound Name |
(2S)-2-[[4-amino-3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]benzoyl]amino]-3-methylbutanoic acid
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| Structure |
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| Formula |
C18H29N7O4
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| Molecular Weight |
407.475
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| Canonical SMILES |
CC(C)[C@H](NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCCNC(N)=N)c1)C(O)=O
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| InChI |
InChI=1S/C18H29N7O4/c1-9(2)14(17(28)29)25-15(26)10-5-6-11(19)13(8-10)24-16(27)12(20)4-3-7-23-18(21)22/h5-6,8-9,12,14H,3-4,7,19-20H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)(H4,21,22,23)/t12-,14-/m0/s1
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| InChIKey |
XQKJTIQPTVHBOT-JSGCOSHPSA-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