General Information of the Compound
| Compound ID |
CP0497170
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
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| Structure |
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| Formula |
C31H37N7O3S
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| Molecular Weight |
587.75
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| Canonical SMILES |
CN1CCN(CCCOc2ccc3c(c2)sc2nc(cn32)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1
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| InChI |
InChI=1S/C31H37N7O3S/c1-31(2,3)27-19-28(35-41-27)34-29(39)32-22-8-6-21(7-9-22)24-20-38-25-11-10-23(18-26(25)42-30(38)33-24)40-17-5-12-37-15-13-36(4)14-16-37/h6-11,18-20H,5,12-17H2,1-4H3,(H2,32,34,35,39)
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| InChIKey |
DTOKHNAODOAINH-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