General Information of the Compound
| Compound ID |
CP0967915
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| Compound Name |
4-[1,4]Diazepan-1-yl-6-methyl-5-phenyl-2-pyridin-4-yl-thieno[2,3-d]pyrimidine
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| Structure |
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| Formula |
C23H23N5S
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| Molecular Weight |
401.539
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| Canonical SMILES |
Cc1sc2nc(-c3ccncc3)nc(N3CCCNCC3)c2c1-c1ccccc1
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| InChI |
InChI=1S/C23H23N5S/c1-16-19(17-6-3-2-4-7-17)20-22(28-14-5-10-24-13-15-28)26-21(27-23(20)29-16)18-8-11-25-12-9-18/h2-4,6-9,11-12,24H,5,10,13-15H2,1H3
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| InChIKey |
LAFZSPXFXQFHGV-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