General Information of the Compound
| Compound ID |
CP0952961
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| Compound Name |
N'1-[2-(1H-Pyrazol-4-yl)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl]-ethane-1,2-diamine
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| Structure |
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| Formula |
C15H18N6S
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| Molecular Weight |
314.418
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| Canonical SMILES |
NCCNc1nc(-c2cn[nH]c2)nc2sc3c(c12)CCCC3
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| InChI |
InChI=1S/C15H18N6S/c16-5-6-17-14-12-10-3-1-2-4-11(10)22-15(12)21-13(20-14)9-7-18-19-8-9/h7-8H,1-6,16H2,(H,18,19)(H,17,20,21)
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| InChIKey |
ONBNVCHUMDEZLI-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