General Information of the Compound
| Compound ID |
CP0866589
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| Compound Name |
1-[3-[(2R)-2-hydroxy-3-(propylamino)propoxy]thiophen-2-yl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C19H25NO3S
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| Molecular Weight |
347.48
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| Canonical SMILES |
CCCNC[C@@H](O)COc1ccsc1C(=O)CCc1ccccc1
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| InChI |
InChI=1S/C19H25NO3S/c1-2-11-20-13-16(21)14-23-18-10-12-24-19(18)17(22)9-8-15-6-4-3-5-7-15/h3-7,10,12,16,20-21H,2,8-9,11,13-14H2,1H3/t16-/m1/s1
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| InChIKey |
QRTLOSXXNXCUKQ-MRXNPFEDSA-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