General Information of the Compound
| Compound ID |
CP0191168
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| Compound Name |
N-[3-[5-(2-amino-3H-benzimidazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-chlorobenzamide
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| Structure |
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| Formula |
C25H17ClN6OS
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| Molecular Weight |
484.972
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| Canonical SMILES |
Nc1nc2ccc(cc2[nH]1)-c1c(nc2sccn12)-c1cccc(NC(=O)c2ccccc2Cl)c1
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| InChI |
InChI=1S/C25H17ClN6OS/c26-18-7-2-1-6-17(18)23(33)28-16-5-3-4-14(12-16)21-22(32-10-11-34-25(32)31-21)15-8-9-19-20(13-15)30-24(27)29-19/h1-13H,(H,28,33)(H3,27,29,30)
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| InChIKey |
XQFKEPZMCJQYEV-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