General Information of the Compound
| Compound ID |
CP0914016
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| Compound Name |
4-[1,4]Diazepan-1-yl-5-methyl-2-pyridin-4-yl-thieno[2,3-d]pyrimidine
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| Structure |
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| Formula |
C17H19N5S
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| Molecular Weight |
325.441
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| Canonical SMILES |
Cc1csc2nc(-c3ccncc3)nc(N3CCCNCC3)c12
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| InChI |
InChI=1S/C17H19N5S/c1-12-11-23-17-14(12)16(22-9-2-5-18-8-10-22)20-15(21-17)13-3-6-19-7-4-13/h3-4,6-7,11,18H,2,5,8-10H2,1H3
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| InChIKey |
MYMVCQFSSWASMR-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