General Information of the Compound
| Compound ID |
CP0954700
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| Compound Name |
3-[4-(2-Pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-piperazin-1-ylmethyl]-phenol
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| Structure |
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| Formula |
C26H27N5OS
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| Molecular Weight |
457.603
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| Canonical SMILES |
Oc1cccc(CN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)c1
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| InChI |
InChI=1S/C26H27N5OS/c32-20-5-3-4-18(16-20)17-30-12-14-31(15-13-30)25-23-21-6-1-2-7-22(21)33-26(23)29-24(28-25)19-8-10-27-11-9-19/h3-5,8-11,16,32H,1-2,6-7,12-15,17H2
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| InChIKey |
AEJIUAAKHYSGRC-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