General Information of the Compound
| Compound ID |
CP0447354
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| Compound Name |
[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]-4-methylpentyl]-[(1R)-1-amino-3-phenylpropyl]phosphinic acid
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| Structure |
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| Formula |
C19H32N3O5P
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| Molecular Weight |
413.455
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| Canonical SMILES |
CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](CO)C(N)=O
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| InChI |
InChI=1S/C19H32N3O5P/c1-13(2)10-15(19(25)22-16(11-23)18(21)24)12-28(26,27)17(20)9-8-14-6-4-3-5-7-14/h3-7,13,15-17,23H,8-12,20H2,1-2H3,(H2,21,24)(H,22,25)(H,26,27)/t15-,16+,17-/m1/s1
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| InChIKey |
LWTGCDBTARLXAS-IXDOHACOSA-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