General Information of the Compound
| Compound ID |
CP0531174
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| Compound Name |
CHEMBL4862067
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| Formula |
C38H77ClN2O3
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| Molecular Weight |
645.498
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| Canonical SMILES |
Cl.CCCCCCCCCCCCCCOCC(CNC(=O)[C@H]1CC[C@H](N)CC1)OCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C38H76N2O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-42-34-37(33-40-38(41)35-27-29-36(39)30-28-35)43-32-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35-37H,3-34,39H2,1-2H3,(H,40,41);1H/t35-,36-,37?;
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| InChIKey |
VZJZCISEILCZGO-MMCIQVQESA-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: PT04438, Toll-like receptor 2
Protein ID: PT02347, Tumor necrosis factor