General Information of the Compound
| Compound ID |
CP0406095
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| Compound Name |
2-(2-(((5S,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,11-dioxo-1,2-dithia-6,10-diazacyclotetradecane-5-carboxamido)methyl)phenyl)acetic acid
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| Structure |
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| Formula |
C27H34N4O6S2
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| Molecular Weight |
574.725
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| Canonical SMILES |
N[C@H]1CCSSCC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
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| InChI |
InChI=1S/C27H34N4O6S2/c28-22-9-11-38-39-12-10-23(27(37)29-16-19-4-2-1-3-18(19)14-25(34)35)31-24(33)15-20(30-26(22)36)13-17-5-7-21(32)8-6-17/h1-8,20,22-23,32H,9-16,28H2,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t20-,22-,23-/m0/s1
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| InChIKey |
ANIBETHRRCCYKY-PMVMPFDFSA-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: PT01820, Aminopeptidase N
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase