General Information of the Compound
| Compound ID |
CP0289445
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| Compound Name |
2-(4-(biphenyl-4-ylamino)-6-chloropyrimidin-2-ylthio)-2-(naphthalen-1-yl)acetic acid
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| Structure |
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| Formula |
C28H20ClN3O2S
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| Molecular Weight |
498.007
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| Canonical SMILES |
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccccc2)n1)c1cccc2ccccc12
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| InChI |
InChI=1S/C28H20ClN3O2S/c29-24-17-25(30-21-15-13-19(14-16-21)18-7-2-1-3-8-18)32-28(31-24)35-26(27(33)34)23-12-6-10-20-9-4-5-11-22(20)23/h1-17,26H,(H,33,34)(H,30,31,32)
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| InChIKey |
PUUGTPGZPXFRAY-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