General Information of the Compound
| Compound ID |
CP0398549
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
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| Structure |
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| Formula |
C32H37N7O3S
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| Molecular Weight |
599.761
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| Canonical SMILES |
CCN1CCN(CC1)C(=O)CCc1ccc2c(c1)sc1nc(cn21)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C32H37N7O3S/c1-5-37-14-16-38(17-15-37)29(40)13-7-21-6-12-25-26(18-21)43-31-34-24(20-39(25)31)22-8-10-23(11-9-22)33-30(41)35-28-19-27(42-36-28)32(2,3)4/h6,8-12,18-20H,5,7,13-17H2,1-4H3,(H2,33,35,36,41)
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| InChIKey |
JLRYCVLRKWBMOL-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