General Information of the Compound
| Compound ID |
CP0558098
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| Compound Name |
3-[2-(3-chlorophenyl)ethoxy]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-N-(2-piperidin-1-ylethyl)propanamide
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| Structure |
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| Formula |
C34H40N6O13
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| Molecular Weight |
740.723
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C29H39ClN4O4S/c30-24-6-4-5-22(21-24)10-19-38-20-11-26(36)34(18-17-33-14-2-1-3-15-33)16-13-31-12-9-23-7-8-25(35)27-28(23)39-29(37)32-27/h4-8,21,31,35H,1-3,9-20H2,(H,32,37)
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| InChIKey |
AYZITMUOLMTNQG-UHFFFAOYSA-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