General Information of the Compound
| Compound ID |
CP0904469
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| Compound Name |
N'1-(7-Methyl-2-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 |
C18H21N5S
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| Molecular Weight |
339.468
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| Canonical SMILES |
CC1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
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| InChI |
InChI=1S/C18H21N5S/c1-11-2-3-13-14(10-11)24-18-15(13)17(21-9-6-19)22-16(23-18)12-4-7-20-8-5-12/h4-5,7-8,11H,2-3,6,9-10,19H2,1H3,(H,21,22,23)
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| InChIKey |
RCHGLQYDQOSBPL-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