General Information of the Compound
| Compound ID |
CP0382095
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| Compound Name |
N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C21H27N5O2S2
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| Molecular Weight |
445.614
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| Canonical SMILES |
C[C@@H](CN1CCN(CC1)S(=O)(=O)Cc1ccccc1)Nc1ncnc2c(C)csc12
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| InChI |
InChI=1S/C21H27N5O2S2/c1-16-13-29-20-19(16)22-15-23-21(20)24-17(2)12-25-8-10-26(11-9-25)30(27,28)14-18-6-4-3-5-7-18/h3-7,13,15,17H,8-12,14H2,1-2H3,(H,22,23,24)/t17-/m0/s1
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| InChIKey |
YRDZGZDBPOVNRI-KRWDZBQOSA-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