General Information of the Compound
| Compound ID |
CP0911815
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| Compound Name |
N'1-[2-(3-Fluoro-pyridin-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 |
C17H18FN5S
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| Molecular Weight |
343.431
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| Canonical SMILES |
NCCNc1nc(-c2ccncc2F)nc2sc3c(c12)CCCC3
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| InChI |
InChI=1S/C17H18FN5S/c18-12-9-20-7-5-10(12)15-22-16(21-8-6-19)14-11-3-1-2-4-13(11)24-17(14)23-15/h5,7,9H,1-4,6,8,19H2,(H,21,22,23)
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| InChIKey |
KCEXAGCBGGUIDQ-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