General Information of the Compound
| Compound ID |
CP0951955
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| Compound Name |
N'1-(9-Chloro-2-pyridin-4-yl-benzo[4,5]thieno[3,2-d]pyrimidin-4-yl)-ethane-1,2-diamine
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| Structure |
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| Formula |
C17H14ClN5S
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| Molecular Weight |
355.854
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| Canonical SMILES |
NCCNc1nc(-c2ccncc2)nc2c1sc1cccc(Cl)c12
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| InChI |
InChI=1S/C17H14ClN5S/c18-11-2-1-3-12-13(11)14-15(24-12)17(21-9-6-19)23-16(22-14)10-4-7-20-8-5-10/h1-5,7-8H,6,9,19H2,(H,21,22,23)
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| InChIKey |
JUWKBPNZYJQRCP-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