General Information of the Compound
| Compound ID |
CP0579586
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| Compound Name |
1-[4-(3,5-dimethoxyanilino)-6-(1H-indol-3-ylsulfanyl)pyrimidin-2-yl]-3-(3,5-dimethoxyphenyl)urea
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| Formula |
C29H28N6O5S
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| Molecular Weight |
572.647
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| Canonical SMILES |
COc1cc(NC(=O)Nc2nc(Nc3cc(OC)cc(OC)c3)cc(Sc3c[nH]c4ccccc34)n2)cc(OC)c1
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| InChI |
InChI=1S/C29H28N6O5S/c1-37-19-9-17(10-20(13-19)38-2)31-26-15-27(41-25-16-30-24-8-6-5-7-23(24)25)34-28(33-26)35-29(36)32-18-11-21(39-3)14-22(12-18)40-4/h5-16,30H,1-4H3,(H3,31,32,33,34,35,36)
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| InChIKey |
GUKJOCOCINKOIE-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