General Information of the Compound
| Compound ID |
CP0845503
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| Compound Name |
2-[[5-Chloro-6-[(5-cyclopropyl-2H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]ethanol
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| Structure |
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| Formula |
C20H23ClFN7O
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| Molecular Weight |
431.903
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| Canonical SMILES |
C[C@H](Nc1nc(NCCO)c(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H23ClFN7O/c1-11(12-4-6-14(22)7-5-12)24-20-26-18(23-8-9-30)17(21)19(27-20)25-16-10-15(28-29-16)13-2-3-13/h4-7,10-11,13,30H,2-3,8-9H2,1H3,(H4,23,24,25,26,27,28,29)/t11-/m0/s1
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| InChIKey |
KVARWKDCYGQQJG-NSHDSACASA-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