General Information of the Compound
| Compound ID |
CP0952139
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| Compound Name |
4-[1,4]Diazepan-1-yl-6-phenyl-2-pyridin-4-yl-thieno[3,2-d]pyrimidine
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| Structure |
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| Formula |
C22H21N5S
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| Molecular Weight |
387.512
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| Canonical SMILES |
c1ccc(-c2cc3nc(-c4ccncc4)nc(N4CCCNCC4)c3s2)cc1
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| InChI |
InChI=1S/C22H21N5S/c1-2-5-16(6-3-1)19-15-18-20(28-19)22(27-13-4-9-23-12-14-27)26-21(25-18)17-7-10-24-11-8-17/h1-3,5-8,10-11,15,23H,4,9,12-14H2
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| InChIKey |
AGCXNDHYPDJNAX-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