General Information of the Compound
| Compound ID |
CP0035800
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| Compound Name |
N-[1-(2-hydroxy-2-methylpropyl)-5-[(N-methylanilino)methyl]benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C28H29N5O3S
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| Molecular Weight |
515.639
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| Canonical SMILES |
CN(Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cnc(C)o3)nc2c1)c1ccccc1
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| InChI |
InChI=1S/C28H29N5O3S/c1-18-29-15-23(36-18)24-12-13-25(37-24)26(34)31-27-30-21-14-19(16-32(4)20-8-6-5-7-9-20)10-11-22(21)33(27)17-28(2,3)35/h5-15,35H,16-17H2,1-4H3,(H,30,31,34)
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| InChIKey |
JZBREUNMARWYLX-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