General Information of the Compound
| Compound ID |
CP0951311
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| Compound Name |
9-Chloro-4-[1,4]diazepan-1-yl-2-pyridin-4-yl-benzo[4,5]thieno[3,2-d]pyrimidine
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| Structure |
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| Formula |
C20H18ClN5S
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| Molecular Weight |
395.919
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| Canonical SMILES |
Clc1cccc2sc3c(N4CCCNCC4)nc(-c4ccncc4)nc3c12
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| InChI |
InChI=1S/C20H18ClN5S/c21-14-3-1-4-15-16(14)17-18(27-15)20(26-11-2-7-22-10-12-26)25-19(24-17)13-5-8-23-9-6-13/h1,3-6,8-9,22H,2,7,10-12H2
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| InChIKey |
SRSPSOGPXNIZNU-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