General Information of the Compound
| Compound ID |
CP0186133
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| Compound Name |
3-({6-methanesulfonyl-7-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]quinolin-4-yl}amino)-4-methylphenol
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| Structure |
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| Formula |
C25H26N4O4S2
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| Molecular Weight |
510.641
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| Canonical SMILES |
Cc1ccc(O)cc1Nc1ccnc2cc(-c3csc(CN4CCOCC4)n3)c(cc12)S(C)(=O)=O
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| InChI |
InChI=1S/C25H26N4O4S2/c1-16-3-4-17(30)11-21(16)27-20-5-6-26-22-12-19(24(13-18(20)22)35(2,31)32)23-15-34-25(28-23)14-29-7-9-33-10-8-29/h3-6,11-13,15,30H,7-10,14H2,1-2H3,(H,26,27)
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| InChIKey |
KNLRJRUFOIDTER-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