General Information of the Compound
| Compound ID |
CP0365172
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| Compound Name |
(3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
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| Structure |
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| Formula |
C22H24N4OS
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| Molecular Weight |
392.528
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| Canonical SMILES |
CCN1CCc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2C1
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| InChI |
InChI=1S/C22H24N4OS/c1-2-25-9-8-18-16(12-25)11-17-19(23)20(28-21(17)24-18)22(27)26-10-7-14-5-3-4-6-15(14)13-26/h3-6,11H,2,7-10,12-13,23H2,1H3
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| InChIKey |
WUCKZOSKFXRLQN-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: PT04108, Atypical chemokine receptor 3
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic