General Information of the Compound
| Compound ID |
CP0953499
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| Compound Name |
4-(4-Methyl-[1,4]diazepan-1-yl)-2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
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| Structure |
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| Formula |
C21H25N5S
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| Molecular Weight |
379.533
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| Canonical SMILES |
CN1CCCN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CC1
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| InChI |
InChI=1S/C21H25N5S/c1-25-11-4-12-26(14-13-25)20-18-16-5-2-3-6-17(16)27-21(18)24-19(23-20)15-7-9-22-10-8-15/h7-10H,2-6,11-14H2,1H3
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| InChIKey |
NLSTVTLSKXZJHU-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