General Information of the Compound
| Compound ID |
CP0495022
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| Compound Name |
N-[(1R,3R)-3-[(3-bromo-1-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclopentyl]-2-methoxyethanesulfonamide
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| Structure |
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| Formula |
C22H24BrN7O3S
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| Molecular Weight |
546.451
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| Canonical SMILES |
COCCS(=O)(=O)N[C@@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C22H24BrN7O3S/c1-33-9-10-34(31,32)29-16-5-4-15(12-16)26-22-25-13-18-20(23)28-30(21(18)27-22)17-6-7-19-14(11-17)3-2-8-24-19/h2-3,6-8,11,13,15-16,29H,4-5,9-10,12H2,1H3,(H,25,26,27)/t15-,16-/m1/s1
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| InChIKey |
NOORGTAEHQTNBQ-HZPDHXFCSA-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