General Information of the Compound
| Compound ID |
CP0390158
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| Compound Name |
N-butyl-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl-methylamino]ethyl]-3-(2-phenylethoxy)propanamide
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| Structure |
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| Formula |
C27H37N3O4S
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| Molecular Weight |
499.677
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| Canonical SMILES |
CCCCN(CCN(C)CCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1
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| InChI |
InChI=1S/C27H37N3O4S/c1-3-4-15-30(24(32)14-20-34-19-13-21-8-6-5-7-9-21)18-17-29(2)16-12-22-10-11-23(31)25-26(22)35-27(33)28-25/h5-11,31H,3-4,12-20H2,1-2H3,(H,28,33)
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| InChIKey |
VPMMIBFIVDNRHD-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