General Information of the Compound
| Compound ID |
CP0325802
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| Compound Name |
1-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-2-cyano-3-methylbenzene-1-guanidine
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| Structure |
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| Formula |
C22H19N7S
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| Molecular Weight |
413.51
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| Canonical SMILES |
Cc1sc2ncnc(N)c2c1-c1ccc(cc1)N=C(NC#N)Nc1cccc(C)c1
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| InChI |
InChI=1S/C22H19N7S/c1-13-4-3-5-17(10-13)29-22(25-11-23)28-16-8-6-15(7-9-16)18-14(2)30-21-19(18)20(24)26-12-27-21/h3-10,12H,1-2H3,(H2,24,26,27)(H2,25,28,29)
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| InChIKey |
AZFNWVJTDAVJCD-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