General Information of the Compound
| Compound ID |
CP0338605
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| Compound Name |
(2E)-3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-thien-2-ylprop-2-en-1-one
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| Structure |
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| Formula |
C23H28N2O2S
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| Molecular Weight |
396.556
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| Canonical SMILES |
CCCCN(C)CC(O)Cn1cc(\C=C\C(=O)c2cccs2)c2ccccc12
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| InChI |
InChI=1S/C23H28N2O2S/c1-3-4-13-24(2)16-19(26)17-25-15-18(20-8-5-6-9-21(20)25)11-12-22(27)23-10-7-14-28-23/h5-12,14-15,19,26H,3-4,13,16-17H2,1-2H3/b12-11+
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| InChIKey |
SALBKFMJBBCCIC-VAWYXSNFSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06033, Microphthalmia-associated transcription factor