General Information of the Compound
| Compound ID |
CP0850340
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| Compound Name |
(R)-N'1-[6-(4-tert-Butyl-phenyl)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl]-propane-1,2-diamine
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| Structure |
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| Formula |
C24H27N5S
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| Molecular Weight |
417.582
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| Canonical SMILES |
C[C@@H](N)CNc1nc(-c2ccncc2)nc2cc(-c3ccc(C(C)(C)C)cc3)sc12
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| InChI |
InChI=1S/C24H27N5S/c1-15(25)14-27-23-21-19(28-22(29-23)17-9-11-26-12-10-17)13-20(30-21)16-5-7-18(8-6-16)24(2,3)4/h5-13,15H,14,25H2,1-4H3,(H,27,28,29)/t15-/m1/s1
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| InChIKey |
VJTDZRQDCSDOLW-OAHLLOKOSA-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