General Information of the Compound
| Compound ID |
CP0478058
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| Compound Name |
N-[2-(diethylamino)ethyl]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-[2-(3-methoxyphenyl)ethoxy]propanamide
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| Structure |
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| Formula |
C76H92N10O25S2
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| Molecular Weight |
1609.751
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| Canonical SMILES |
CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O
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| InChI |
InChI=1S/C29H42N4O5S/c1-4-32(5-2)17-18-33(26(35)13-20-38-19-12-22-7-6-8-24(21-22)37-3)16-15-30-14-11-23-9-10-25(34)27-28(23)39-29(36)31-27/h6-10,21,30,34H,4-5,11-20H2,1-3H3,(H,31,36)
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| InChIKey |
JXQBXKNWQNHKFQ-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