General Information of the Compound
| Compound ID |
CP0447701
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| Compound Name |
2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)-2-(4-phenylnaphthalen-1-yl)acetic acid
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| Structure |
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| Formula |
C30H24ClN3O2S
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| Molecular Weight |
526.061
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| Canonical SMILES |
Cc1cccc(Nc2cc(Cl)nc(SC(C(O)=O)c3ccc(-c4ccccc4)c4ccccc34)n2)c1C
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| InChI |
InChI=1S/C30H24ClN3O2S/c1-18-9-8-14-25(19(18)2)32-27-17-26(31)33-30(34-27)37-28(29(35)36)24-16-15-21(20-10-4-3-5-11-20)22-12-6-7-13-23(22)24/h3-17,28H,1-2H3,(H,35,36)(H,32,33,34)
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| InChIKey |
HSUVSHFOIBHSHP-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