General Information of the Compound
| Compound ID |
CP0076536
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| Compound Name |
4-chloranyl-N-[3-(3-methylpiperidin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
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| Structure |
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| Formula |
C21H24ClN3OS
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| Molecular Weight |
401.963
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| Canonical SMILES |
CC1CCCN(CCCNC(=O)c2cc3c(Cl)nc4ccccc4c3s2)C1
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| InChI |
InChI=1S/C21H24ClN3OS/c1-14-6-4-10-25(13-14)11-5-9-23-21(26)18-12-16-19(27-18)15-7-2-3-8-17(15)24-20(16)22/h2-3,7-8,12,14H,4-6,9-11,13H2,1H3,(H,23,26)
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| InChIKey |
KBQSNNCVJNKFHP-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: PT01214, Tyrosine-protein kinase JAK2