General Information of the Compound
| Compound ID |
CP0420185
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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-cyano-phenyl)-amide
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| Structure |
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| Formula |
C31H35N7O2S
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| Molecular Weight |
569.735
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| Canonical SMILES |
COc1cc2c(N3CCN(CC3)C(=S)Nc3ccc(cc3)C#N)c(cnc2cc1OCCCN1CCCCC1)C#N
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| InChI |
InChI=1S/C31H35N7O2S/c1-39-28-18-26-27(19-29(28)40-17-5-12-36-10-3-2-4-11-36)34-22-24(21-33)30(26)37-13-15-38(16-14-37)31(41)35-25-8-6-23(20-32)7-9-25/h6-9,18-19,22H,2-5,10-17H2,1H3,(H,35,41)
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| InChIKey |
ZJOHAEZPXFNGLV-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