General Information of the Compound
| Compound ID |
CP0441713
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| Compound Name |
4-[3-Cyano-6-methoxy-7-(3-piperidin-1-yl-propoxy)-quinolin-4-yl]-piperazine-1-carbothioic acid (4-pyridin-2-yl-phenyl)-amide
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| Structure |
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| Formula |
C35H39N7O2S
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| Molecular Weight |
621.811
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| Canonical SMILES |
COc1cc2c(N3CCN(CC3)C(=S)Nc3ccc(cc3)-c3ccccn3)c(cnc2cc1OCCCN1CCCCC1)C#N
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| InChI |
InChI=1S/C35H39N7O2S/c1-43-32-22-29-31(23-33(32)44-21-7-16-40-14-5-2-6-15-40)38-25-27(24-36)34(29)41-17-19-42(20-18-41)35(45)39-28-11-9-26(10-12-28)30-8-3-4-13-37-30/h3-4,8-13,22-23,25H,2,5-7,14-21H2,1H3,(H,39,45)
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| InChIKey |
AQTCOACEVKFRNO-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