General Information of the Compound
| Compound ID |
CP0013199
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| Compound Name |
4-N,4-N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H18N6S
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| Molecular Weight |
374.473
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| Canonical SMILES |
Nc1nc(cc(n1)-c1ccsc1)N(Cc1ccccn1)Cc1ccccn1
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| InChI |
InChI=1S/C20H18N6S/c21-20-24-18(15-7-10-27-14-15)11-19(25-20)26(12-16-5-1-3-8-22-16)13-17-6-2-4-9-23-17/h1-11,14H,12-13H2,(H2,21,24,25)
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| InChIKey |
GNKFSGIISAKKRV-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