General Information of the Compound
| Compound ID |
CP0240939
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| Compound Name |
2-(4-chloro-6-(phenethylamino)pyrimidin-2-ylthio)-2-(naphthalen-1-yl)acetic acid
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| Structure |
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| Formula |
C24H20ClN3O2S
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| Molecular Weight |
449.963
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| Canonical SMILES |
OC(=O)C(Sc1nc(Cl)cc(NCCc2ccccc2)n1)c1cccc2ccccc12
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| InChI |
InChI=1S/C24H20ClN3O2S/c25-20-15-21(26-14-13-16-7-2-1-3-8-16)28-24(27-20)31-22(23(29)30)19-12-6-10-17-9-4-5-11-18(17)19/h1-12,15,22H,13-14H2,(H,29,30)(H,26,27,28)
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| InChIKey |
AUPGPPSJMBDRTO-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