General Information of the Compound
| Compound ID |
CP0568797
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| Compound Name |
1-[4-anilino-6-(1H-indol-3-ylsulfanyl)pyrimidin-2-yl]-3-(4-chloro-2-methylphenyl)urea
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| Formula |
C26H21ClN6OS
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| Molecular Weight |
501.015
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| Canonical SMILES |
Cc1cc(Cl)ccc1NC(=O)Nc1nc(Nc2ccccc2)cc(Sc2c[nH]c3ccccc23)n1
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| InChI |
InChI=1S/C26H21ClN6OS/c1-16-13-17(27)11-12-20(16)30-26(34)33-25-31-23(29-18-7-3-2-4-8-18)14-24(32-25)35-22-15-28-21-10-6-5-9-19(21)22/h2-15,28H,1H3,(H3,29,30,31,32,33,34)
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| InChIKey |
RSTKBNWSNPRUCO-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