General Information of the Compound
| Compound ID |
CP0954825
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| Compound Name |
4-(4-Phenethyl-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 |
C27H29N5S
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| Molecular Weight |
455.631
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| Canonical SMILES |
c1ccc(CCN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)cc1
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| InChI |
InChI=1S/C27H29N5S/c1-2-6-20(7-3-1)12-15-31-16-18-32(19-17-31)26-24-22-8-4-5-9-23(22)33-27(24)30-25(29-26)21-10-13-28-14-11-21/h1-3,6-7,10-11,13-14H,4-5,8-9,12,15-19H2
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| InChIKey |
LQFQETHWPALLJY-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