General Information of the Compound
| Compound ID |
CP0916689
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| Compound Name |
2-[[5-chloro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]pyrimidin-4-yl]amino]propane-1,3-diol
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| Structure |
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| Formula |
C21H27ClFN7O3
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| Molecular Weight |
479.944
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| Canonical SMILES |
CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc(NC(CO)CO)c2Cl)n[nH]1
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| InChI |
InChI=1S/C21H27ClFN7O3/c1-11(2)33-17-8-16(29-30-17)26-20-18(22)19(25-15(9-31)10-32)27-21(28-20)24-12(3)13-4-6-14(23)7-5-13/h4-8,11-12,15,31-32H,9-10H2,1-3H3,(H4,24,25,26,27,28,29,30)/t12-/m0/s1
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| InChIKey |
XFGQQCZWCNSYOC-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