General Information of the Compound
| Compound ID |
CP0517736
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| Compound Name |
[(2S)-2-(1-adamantylmethyl)-3-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-[(1R)-1-amino-3-phenylpropyl]phosphinic acid
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| Structure |
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| Formula |
C32H44N3O4P
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| Molecular Weight |
565.695
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| Canonical SMILES |
N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](CC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C32H44N3O4P/c33-29(12-11-22-7-3-1-4-8-22)40(38,39)21-27(20-32-17-24-13-25(18-32)15-26(14-24)19-32)31(37)35-28(30(34)36)16-23-9-5-2-6-10-23/h1-10,24-29H,11-21,33H2,(H2,34,36)(H,35,37)(H,38,39)/t24?,25?,26?,27-,28+,29-,32?/m1/s1
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| InChIKey |
BUSBNAUESVLLQC-QLOXJZRISA-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