General Information of the Compound
| Compound ID |
CP0849550
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| Compound Name |
(S)-N'1-(7-Bromo-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl)-3-methyl-butane-1,2-diamine
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| Structure |
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| Formula |
C16H18BrN5S
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| Molecular Weight |
392.326
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| Canonical SMILES |
CC(C)[C@H](N)CNc1nc(-c2ccncc2)nc2c(Br)csc12
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| InChI |
InChI=1S/C16H18BrN5S/c1-9(2)12(18)7-20-16-14-13(11(17)8-23-14)21-15(22-16)10-3-5-19-6-4-10/h3-6,8-9,12H,7,18H2,1-2H3,(H,20,21,22)/t12-/m1/s1
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| InChIKey |
DVCOBXWRSJYCTH-GFCCVEGCSA-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