General Information of the Compound
| Compound ID |
CP0517428
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| Compound Name |
4-(2-aminobenzo[d]thiazol-6-ylamino)-6-methyl-7-(3-(4-methylpiperidin-1-yl)propoxy)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C27H30N6OS
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| Molecular Weight |
486.645
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| Canonical SMILES |
CC1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc5nc(N)sc5c4)c3cc2C)CC1
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| InChI |
InChI=1S/C27H30N6OS/c1-17-6-9-33(10-7-17)8-3-11-34-24-14-23-21(12-18(24)2)26(19(15-28)16-30-23)31-20-4-5-22-25(13-20)35-27(29)32-22/h4-5,12-14,16-17H,3,6-11H2,1-2H3,(H2,29,32)(H,30,31)
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| InChIKey |
SYVHODALBSZOKK-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