General Information of the Compound
| Compound ID |
CP0862382
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| Compound Name |
(S)-N'1-[7-Bromo-2-(1-oxy-pyridin-4-yl)-thieno[3,2-d]pyrimidin-4-yl]-3-phenyl-propane-1,2-diamine
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| Structure |
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| Formula |
C20H18BrN5OS
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| Molecular Weight |
456.369
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| Canonical SMILES |
N[C@H](CNc1nc(-c2cc[n+]([O-])cc2)nc2c(Br)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C20H18BrN5OS/c21-16-12-28-18-17(16)24-19(14-6-8-26(27)9-7-14)25-20(18)23-11-15(22)10-13-4-2-1-3-5-13/h1-9,12,15H,10-11,22H2,(H,23,24,25)/t15-/m0/s1
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| InChIKey |
YAFSWMKYQJBVJY-HNNXBMFYSA-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