General Information of the Compound
| Compound ID |
CP0139134
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| Compound Name |
2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,10-dioxo-1,2-dithia-5,9-diazacyclotridecane-4-carboxamido)methyl)phenyl)acetic acid
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| Structure |
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| Formula |
C26H32N4O6S2
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| Molecular Weight |
560.698
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| Canonical SMILES |
N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
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| InChI |
InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1
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| InChIKey |
VZYRMNZEFCZSER-BVSLBCMMSA-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: PT05005, Interleukin-1 receptor antagonist protein
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase