General Information of the Compound
| Compound ID |
CP0563881
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| Compound Name |
1-[4-(4-chloroanilino)-6-(1H-indol-3-ylsulfanyl)pyrimidin-2-yl]-3-phenylurea
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| Formula |
C25H19ClN6OS
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| Molecular Weight |
486.988
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| Canonical SMILES |
Clc1ccc(Nc2cc(Sc3c[nH]c4ccccc34)nc(NC(=O)Nc3ccccc3)n2)cc1
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| InChI |
InChI=1S/C25H19ClN6OS/c26-16-10-12-18(13-11-16)28-22-14-23(34-21-15-27-20-9-5-4-8-19(20)21)31-24(30-22)32-25(33)29-17-6-2-1-3-7-17/h1-15,27H,(H3,28,29,30,31,32,33)
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| InChIKey |
LTRLCPWKTGZDJC-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