General Information of the Compound
| Compound ID |
CP0301282
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| Compound Name |
1-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]-3-ethyl-thiourea
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| Structure |
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| Formula |
C21H22N4O2S
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| Molecular Weight |
394.5
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| Canonical SMILES |
CCNC(=S)NNC(=O)c1cc(nc2ccccc12)-c1ccc(OCC)cc1
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| InChI |
InChI=1S/C21H22N4O2S/c1-3-22-21(28)25-24-20(26)17-13-19(23-18-8-6-5-7-16(17)18)14-9-11-15(12-10-14)27-4-2/h5-13H,3-4H2,1-2H3,(H,24,26)(H2,22,25,28)
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| InChIKey |
OUMOCZYTTNFGNH-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1