General Information of the Compound
| Compound ID |
CP0697136
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| Compound Name |
4-Methyl-piperazine-1-carboxylic acid [3-(4-amino-benzo[4,5]thieno[3,2-d]pyrimidin-7-yl)-phenyl]-amide
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| Structure |
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| Formula |
C22H22N6OS
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| Molecular Weight |
418.526
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| Canonical SMILES |
CN1CCN(C(=O)Nc2cccc(-c3ccc4c(c3)sc3c(N)ncnc34)c2)CC1
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| InChI |
InChI=1S/C22H22N6OS/c1-27-7-9-28(10-8-27)22(29)26-16-4-2-3-14(11-16)15-5-6-17-18(12-15)30-20-19(17)24-13-25-21(20)23/h2-6,11-13H,7-10H2,1H3,(H,26,29)(H2,23,24,25)
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| InChIKey |
OYYKGCKVVURSQO-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