General Information of the Compound
| Compound ID |
CP0498983
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| Compound Name |
(2S)-2-({5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)-2-phenylethan-1-ol
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| Structure |
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| Formula |
C18H19BrN6O
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| Molecular Weight |
415.295
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| Canonical SMILES |
OC[C@@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1
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| InChI |
InChI=1S/C18H19BrN6O/c19-13-9-20-18(21-15(10-26)11-4-2-1-3-5-11)23-17(13)22-16-8-14(24-25-16)12-6-7-12/h1-5,8-9,12,15,26H,6-7,10H2,(H3,20,21,22,23,24,25)/t15-/m1/s1
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| InChIKey |
XDAYSURCVISUSU-OAHLLOKOSA-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