General Information of the Compound
| Compound ID |
CP0472961
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| Compound Name |
(5S,8S,11S)-11-amino-8-(4-hydroxybenzyl)-N-methyl-7,10-dioxo-1,2-dithia-6,9-diazacyclotridecane-5-carboxamide
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| Structure |
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| Formula |
C18H26N4O4S2
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| Molecular Weight |
426.564
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| Canonical SMILES |
CNC(=O)[C@@H]1CCSSCC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1
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| InChI |
InChI=1S/C18H26N4O4S2/c1-20-17(25)14-7-9-28-27-8-6-13(19)16(24)22-15(18(26)21-14)10-11-2-4-12(23)5-3-11/h2-5,13-15,23H,6-10,19H2,1H3,(H,20,25)(H,21,26)(H,22,24)/t13-,14-,15-/m0/s1
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| InChIKey |
TXIDXJQFXZTWFQ-KKUMJFAQSA-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