General Information of the Compound
| Compound ID |
CP0455137
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(3-morpholin-4-yl-3-oxopropyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
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| Structure |
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| Formula |
C30H32N6O4S
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| Molecular Weight |
572.691
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(CCC(=O)N4CCOCC4)ccc32)no1
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| InChI |
InChI=1S/C30H32N6O4S/c1-30(2,3)25-17-26(34-40-25)33-28(38)31-21-8-6-20(7-9-21)22-18-36-23-10-4-19(16-24(23)41-29(36)32-22)5-11-27(37)35-12-14-39-15-13-35/h4,6-10,16-18H,5,11-15H2,1-3H3,(H2,31,33,34,38)
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| InChIKey |
YARPTJZYFILFOJ-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