General Information of the Compound
| Compound ID |
CP0442377
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| Compound Name |
4-[3-Cyano-6-methoxy-7-(3-piperidin-1-yl-propoxy)-quinolin-4-yl]-piperazine-1-carbothioic acid (6-phenyl-pyridin-3-ylmethyl)-amide
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| Structure |
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| Formula |
C36H41N7O2S
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| Molecular Weight |
635.838
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| Canonical SMILES |
COc1cc2c(N3CCN(CC3)C(=S)NCc3ccc(nc3)-c3ccccc3)c(cnc2cc1OCCCN1CCCCC1)C#N
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| InChI |
InChI=1S/C36H41N7O2S/c1-44-33-21-30-32(22-34(33)45-20-8-15-41-13-6-3-7-14-41)39-26-29(23-37)35(30)42-16-18-43(19-17-42)36(46)40-25-27-11-12-31(38-24-27)28-9-4-2-5-10-28/h2,4-5,9-12,21-22,24,26H,3,6-8,13-20,25H2,1H3,(H,40,46)
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| InChIKey |
FJCGGUSGCZXDHJ-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