General Information of the Compound
| Compound ID |
CP0454905
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| Compound Name |
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-3-phenylpropanamide
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| Structure |
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| Formula |
C32H24F2N4O2S
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| Molecular Weight |
566.633
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| Canonical SMILES |
Fc1cc(F)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)c1
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| InChI |
InChI=1S/C32H24F2N4O2S/c33-23-14-21(15-24(34)18-23)17-30(39)36-26(16-20-6-2-1-3-7-20)31(40)35-25-12-10-22(11-13-25)27-19-38-28-8-4-5-9-29(28)41-32(38)37-27/h1-15,18-19,26H,16-17H2,(H,35,40)(H,36,39)/t26-/m0/s1
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| InChIKey |
KPKMTEIKWRVAML-SANMLTNESA-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