General Information of the Compound
| Compound ID |
CP0862392
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| Compound Name |
4-[4-(2-Chloro-benzyl)-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 |
C26H26ClN5S
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| Molecular Weight |
476.049
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| Canonical SMILES |
Clc1ccccc1CN1CCN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CC1
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| InChI |
InChI=1S/C26H26ClN5S/c27-21-7-3-1-5-19(21)17-31-13-15-32(16-14-31)25-23-20-6-2-4-8-22(20)33-26(23)30-24(29-25)18-9-11-28-12-10-18/h1,3,5,7,9-12H,2,4,6,8,13-17H2
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| InChIKey |
YHFPZFVQQWBSQG-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