General Information of the Compound
| Compound ID |
CP0952744
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| Compound Name |
(S)-N'1-(7-Bromo-6-tert-butyl-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl)-3-(2-methoxy-phenyl)-propane-1,2-diamine
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| Structure |
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| Formula |
C25H28BrN5OS
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| Molecular Weight |
526.504
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| Canonical SMILES |
COc1ccccc1C[C@H](N)CNc1nc(-c2ccncc2)nc2c(Br)c(C(C)(C)C)sc12
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| InChI |
InChI=1S/C25H28BrN5OS/c1-25(2,3)22-19(26)20-21(33-22)24(31-23(30-20)15-9-11-28-12-10-15)29-14-17(27)13-16-7-5-6-8-18(16)32-4/h5-12,17H,13-14,27H2,1-4H3,(H,29,30,31)/t17-/m0/s1
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| InChIKey |
TYPOAJFSDSNSHU-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