General Information of the Compound
| Compound ID |
CP0485148
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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-trifluoromethyl-pyridin-3-ylmethyl)-amide
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| Structure |
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| Formula |
C31H36F3N7O2S
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| Molecular Weight |
627.737
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| Canonical SMILES |
COc1cc2c(N3CCN(CC3)C(=S)NCc3ccc(nc3)C(F)(F)F)c(cnc2cc1OCCCN1CCCCC1)C#N
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| InChI |
InChI=1S/C31H36F3N7O2S/c1-42-26-16-24-25(17-27(26)43-15-5-10-39-8-3-2-4-9-39)36-21-23(18-35)29(24)40-11-13-41(14-12-40)30(44)38-20-22-6-7-28(37-19-22)31(32,33)34/h6-7,16-17,19,21H,2-5,8-15,20H2,1H3,(H,38,44)
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| InChIKey |
BZZIQPCXCNKABW-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