General Information of the Compound
| Compound ID |
CP0573403
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| Compound Name |
(1R,3R)-3-[[3-bromo-1-[3-(2-methylsulfonylethyl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]-N,1-dimethylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C25H29BrN8O3S2
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| Molecular Weight |
633.598
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| Canonical SMILES |
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCS(C)(=O)=O)c3)c2n1
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| InChI |
InChI=1S/C25H29BrN8O3S2/c1-14-31-32-22(38-14)18-6-5-17(11-15(18)8-10-39(4,36)37)34-21-19(20(26)33-34)13-28-24(30-21)29-16-7-9-25(2,12-16)23(35)27-3/h5-6,11,13,16H,7-10,12H2,1-4H3,(H,27,35)(H,28,29,30)/t16-,25-/m1/s1
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| InChIKey |
LSWRRAICGUIZHV-PUAOIOHZSA-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