General Information of the Compound
| Compound ID |
CP0499978
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
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| Structure |
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| Formula |
C28H31N7O2S
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| Molecular Weight |
529.67
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2c(c1)sc1nc(cn21)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C28H31N7O2S/c1-28(2,3)24-16-25(32-37-24)31-26(36)29-19-7-5-18(6-8-19)21-17-35-22-10-9-20(15-23(22)38-27(35)30-21)34-13-11-33(4)12-14-34/h5-10,15-17H,11-14H2,1-4H3,(H2,29,31,32,36)
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| InChIKey |
HNKRMPJIWHKDDU-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