General Information of the Compound
| Compound ID |
CP0935580
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| Compound Name |
(S)-N'1-(6-Ethyl-2-pyridin-4-yl-thieno[2,3-d]pyrimidin-4-yl)-propane-1,2-diamine
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| Structure |
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| Formula |
C16H19N5S
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| Molecular Weight |
313.43
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| Canonical SMILES |
CCc1cc2c(NC[C@H](C)N)nc(-c3ccncc3)nc2s1
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| InChI |
InChI=1S/C16H19N5S/c1-3-12-8-13-15(19-9-10(2)17)20-14(21-16(13)22-12)11-4-6-18-7-5-11/h4-8,10H,3,9,17H2,1-2H3,(H,19,20,21)/t10-/m0/s1
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| InChIKey |
WZPJHNRZKLILRG-JTQLQIEISA-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