General Information of the Compound
| Compound ID |
CP0922792
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| Compound Name |
(2R)-2-[[5-Chloro-4-[(5-methylsulfanyl-2H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
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| Structure |
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| Formula |
C16H16ClFN6OS
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| Molecular Weight |
394.863
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| Canonical SMILES |
CSc1cc(Nc2nc(N[C@@H](CO)c3ccc(F)cc3)ncc2Cl)n[nH]1
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| InChI |
InChI=1S/C16H16ClFN6OS/c1-26-14-6-13(23-24-14)21-15-11(17)7-19-16(22-15)20-12(8-25)9-2-4-10(18)5-3-9/h2-7,12,25H,8H2,1H3,(H3,19,20,21,22,23,24)/t12-/m0/s1
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| InChIKey |
HUWXPXZXPAPRPK-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