General Information of the Compound
| Compound ID |
CP0420184
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| Compound Name |
4-[3-Cyano-6-methoxy-7-(3-piperidin-1-yl-propoxy)-quinolin-4-yl]-piperazine-1-carbothioic acid pyridin-4-ylamide
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| Structure |
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| Formula |
C29H35N7O2S
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| Molecular Weight |
545.713
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| Canonical SMILES |
COc1cc2c(N3CCN(CC3)C(=S)Nc3ccncc3)c(cnc2cc1OCCCN1CCCCC1)C#N
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| InChI |
InChI=1S/C29H35N7O2S/c1-37-26-18-24-25(19-27(26)38-17-5-12-34-10-3-2-4-11-34)32-21-22(20-30)28(24)35-13-15-36(16-14-35)29(39)33-23-6-8-31-9-7-23/h6-9,18-19,21H,2-5,10-17H2,1H3,(H,31,33,39)
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| InChIKey |
UFHXBIRJFNKOQK-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