General Information of the Compound
| Compound ID |
CP0863138
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| Compound Name |
(S)-2-(2-Pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yloxy)-1-thiophen-2-ylmethyl-ethylamine
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| Structure |
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| Formula |
C22H22N4OS2
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| Molecular Weight |
422.579
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| Canonical SMILES |
N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccs1
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| InChI |
InChI=1S/C22H22N4OS2/c23-15(12-16-4-3-11-28-16)13-27-21-19-17-5-1-2-6-18(17)29-22(19)26-20(25-21)14-7-9-24-10-8-14/h3-4,7-11,15H,1-2,5-6,12-13,23H2/t15-/m0/s1
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| InChIKey |
YKQOUBRABHEBJT-HNNXBMFYSA-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