General Information of the Compound
| Compound ID |
CP0460455
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
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| Structure |
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| Formula |
C31H37N7O5S2
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| Molecular Weight |
651.815
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCCN4CCN(CC4)S(C)(=O)=O)ccc32)no1
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| InChI |
InChI=1S/C31H37N7O5S2/c1-31(2,3)27-19-28(35-43-27)34-29(39)32-22-8-6-21(7-9-22)24-20-38-25-11-10-23(18-26(25)44-30(38)33-24)42-17-5-12-36-13-15-37(16-14-36)45(4,40)41/h6-11,18-20H,5,12-17H2,1-4H3,(H2,32,34,35,39)
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| InChIKey |
OHUFQEWUUDFDSC-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