General Information of the Compound
| Compound ID |
CP0148865
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| Compound Name |
N-[3-[5-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-phenylacetamide
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| Structure |
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| Formula |
C33H31N7OS
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| Molecular Weight |
573.726
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| Canonical SMILES |
CN(C)CCc1cccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)c1
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| InChI |
InChI=1S/C33H31N7OS/c1-39(2)17-15-24-10-6-12-26(20-24)36-32-34-16-14-28(37-32)31-30(38-33-40(31)18-19-42-33)25-11-7-13-27(22-25)35-29(41)21-23-8-4-3-5-9-23/h3-14,16,18-20,22H,15,17,21H2,1-2H3,(H,35,41)(H,34,36,37)
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| InChIKey |
JPSXZEQQHPNTNX-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