General Information of the Compound
| Compound ID |
CP0932613
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| Compound Name |
(2R)-2-[[5-Chloro-4-[(5-propoxy-2H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
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| Structure |
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| Formula |
C18H20ClFN6O2
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| Molecular Weight |
406.849
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| Canonical SMILES |
CCCOc1cc(Nc2nc(N[C@@H](CO)c3ccc(F)cc3)ncc2Cl)n[nH]1
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| InChI |
InChI=1S/C18H20ClFN6O2/c1-2-7-28-16-8-15(25-26-16)23-17-13(19)9-21-18(24-17)22-14(10-27)11-3-5-12(20)6-4-11/h3-6,8-9,14,27H,2,7,10H2,1H3,(H3,21,22,23,24,25,26)/t14-/m0/s1
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| InChIKey |
HXWRBPYVHAJBQF-AWEZNQCLSA-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