General Information of the Compound
| Compound ID |
CP0935577
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| Compound Name |
4-[4-(6-Bromo-pyridin-3-ylmethyl)-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 |
C25H25BrN6S
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| Molecular Weight |
521.488
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| Canonical SMILES |
Brc1ccc(CN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)cn1
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| InChI |
InChI=1S/C25H25BrN6S/c26-21-6-5-17(15-28-21)16-31-11-13-32(14-12-31)24-22-19-3-1-2-4-20(19)33-25(22)30-23(29-24)18-7-9-27-10-8-18/h5-10,15H,1-4,11-14,16H2
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| InChIKey |
MRYCQSAIYKOMOW-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