General Information of the Compound
| Compound ID |
CP0954698
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| Compound Name |
4-(4-Butyl-piperazin-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 |
C23H29N5S
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| Molecular Weight |
407.587
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| Canonical SMILES |
CCCCN1CCN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CC1
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| InChI |
InChI=1S/C23H29N5S/c1-2-3-12-27-13-15-28(16-14-27)22-20-18-6-4-5-7-19(18)29-23(20)26-21(25-22)17-8-10-24-11-9-17/h8-11H,2-7,12-16H2,1H3
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| InChIKey |
NVWLEPSTHQBWAG-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