General Information of the Compound
| Compound ID |
CP0916670
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| Compound Name |
4-[1,4]Diazepan-1-yl-2-pyridin-4-yl-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
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| Structure |
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| Formula |
C19H18N6S
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| Molecular Weight |
362.462
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| Canonical SMILES |
c1cnc2sc3c(N4CCCNCC4)nc(-c4ccncc4)nc3c2c1
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| InChI |
InChI=1S/C19H18N6S/c1-3-14-15-16(26-19(14)22-7-1)18(25-11-2-6-20-10-12-25)24-17(23-15)13-4-8-21-9-5-13/h1,3-5,7-9,20H,2,6,10-12H2
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| InChIKey |
NDFZLPULEAGXSE-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