General Information of the Compound
| Compound ID |
CP0913328
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| Compound Name |
(2R)-2-[[5-Chloro-4-(2H-pyrazol-3-ylamino)pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
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| Structure |
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| Formula |
C15H14ClFN6O
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| Molecular Weight |
348.769
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| Canonical SMILES |
OC[C@H](Nc1ncc(Cl)c(Nc2cc[nH]n2)n1)c1ccc(F)cc1
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| InChI |
InChI=1S/C15H14ClFN6O/c16-11-7-18-15(22-14(11)21-13-5-6-19-23-13)20-12(8-24)9-1-3-10(17)4-2-9/h1-7,12,24H,8H2,(H3,18,19,20,21,22,23)/t12-/m0/s1
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| InChIKey |
HNQOAQHKRHXPNW-LBPRGKRZSA-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