General Information of the Compound
| Compound ID |
CP0430746
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| Compound Name |
4-(Benzylamino)-6-(benzylthio)-2-(heptylamino)pyrimidine-5-carboxylic Acid
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| Structure |
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| Formula |
C26H32N4O2S
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| Molecular Weight |
464.635
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| Canonical SMILES |
CCCCCCCNc1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
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| InChI |
InChI=1S/C26H32N4O2S/c1-2-3-4-5-12-17-27-26-29-23(28-18-20-13-8-6-9-14-20)22(25(31)32)24(30-26)33-19-21-15-10-7-11-16-21/h6-11,13-16H,2-5,12,17-19H2,1H3,(H,31,32)(H2,27,28,29,30)
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| InChIKey |
SHOPVBFKACGBAB-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