General Information of the Compound
| Compound ID |
CP0404885
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| Compound Name |
7-methyl-N-[(2S)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C21H27N5S
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| Molecular Weight |
381.549
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| Canonical SMILES |
C[C@@H](CN1CCN(CC1)c1ccccc1C)Nc1ncnc2c(C)csc12
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| InChI |
InChI=1S/C21H27N5S/c1-15-6-4-5-7-18(15)26-10-8-25(9-11-26)12-17(3)24-21-20-19(22-14-23-21)16(2)13-27-20/h4-7,13-14,17H,8-12H2,1-3H3,(H,22,23,24)/t17-/m0/s1
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| InChIKey |
ZDMCPPODOFBLOM-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
Protein ID: PT03925, Lysophosphatidic acid receptor 1
Protein ID: PT04536, Lysophosphatidic acid receptor 2
Protein ID: PT02824, Lysophosphatidic acid receptor 3