General Information of the Compound
| Compound ID |
CP0578440
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| Compound Name |
(1R,3R)-3-[(3-bromo-1-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N,1-dimethylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C22H22BrN7O
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| Molecular Weight |
480.37
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| Canonical SMILES |
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C22H22BrN7O/c1-22(20(31)24-2)8-7-14(11-22)27-21-26-12-16-18(23)29-30(19(16)28-21)15-5-6-17-13(10-15)4-3-9-25-17/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,24,31)(H,26,27,28)/t14-,22-/m1/s1
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| InChIKey |
GFHSMQOOGNEJQV-JLCFBVMHSA-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