General Information of the Compound
| Compound ID |
CP0013754
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| Compound Name |
2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine
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| Structure |
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| Formula |
C21H19N5S2
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| Molecular Weight |
405.552
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| Canonical SMILES |
CSc1nc(cc(n1)-c1ccsc1)N(Cc1ccccn1)Cc1ccccn1
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| InChI |
InChI=1S/C21H19N5S2/c1-27-21-24-19(16-8-11-28-15-16)12-20(25-21)26(13-17-6-2-4-9-22-17)14-18-7-3-5-10-23-18/h2-12,15H,13-14H2,1H3
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| InChIKey |
SOCMFBRFHWPXSW-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