General Information of the Compound
| Compound ID |
CP0950864
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| Compound Name |
2-(2-nitro-1-(2-phenyl-1H-indol-3-yl)ethyl)thiazole
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| Formula |
C19H15N3O2S
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| Molecular Weight |
349.415
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| Canonical SMILES |
O=[N+]([O-])CC(c1nccs1)c1c(-c2ccccc2)[nH]c2ccccc12
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| InChI |
InChI=1S/C19H15N3O2S/c23-22(24)12-15(19-20-10-11-25-19)17-14-8-4-5-9-16(14)21-18(17)13-6-2-1-3-7-13/h1-11,15,21H,12H2
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| InChIKey |
VDGSSPPONDRCGH-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