General Information of the Compound
| Compound ID |
CP0466432
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| Compound Name |
N-butyl-N-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-3-(2-phenylethoxy)propanamide
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| Structure |
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| Formula |
C26H35N3O5S
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| Molecular Weight |
501.649
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| Canonical SMILES |
CCCCN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1
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| InChI |
InChI=1S/C26H35N3O5S/c1-2-3-14-29(23(32)12-17-34-16-11-19-7-5-4-6-8-19)15-13-27-18-22(31)20-9-10-21(30)24-25(20)35-26(33)28-24/h4-10,22,27,30-31H,2-3,11-18H2,1H3,(H,28,33)/t22-/m0/s1
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| InChIKey |
SEPMRQHFLHXBBG-QFIPXVFZSA-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