General Information of the Compound
| Compound ID |
CP0373031
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| Compound Name |
4-(Benzylamino)-6-(benzylthio)-2-(dibutylamino)pyrimidine-5-carboxylic Acid
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| Structure |
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| Formula |
C27H34N4O2S
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| Molecular Weight |
478.662
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| Canonical SMILES |
CCCCN(CCCC)c1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
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| InChI |
InChI=1S/C27H34N4O2S/c1-3-5-17-31(18-6-4-2)27-29-24(28-19-21-13-9-7-10-14-21)23(26(32)33)25(30-27)34-20-22-15-11-8-12-16-22/h7-16H,3-6,17-20H2,1-2H3,(H,32,33)(H,28,29,30)
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| InChIKey |
IZWWDVCNPYDTIY-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