General Information of the Compound
| Compound ID |
CP0955240
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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]propane-1,3-diol
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| Structure |
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| Formula |
C21H25ClFN7O2
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| Molecular Weight |
461.929
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| Canonical SMILES |
C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c(Cl)c(NC(CO)CO)n1)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H25ClFN7O2/c1-11(12-4-6-14(23)7-5-12)24-21-27-19(25-15(9-31)10-32)18(22)20(28-21)26-17-8-16(29-30-17)13-2-3-13/h4-8,11,13,15,31-32H,2-3,9-10H2,1H3,(H4,24,25,26,27,28,29,30)/t11-/m0/s1
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| InChIKey |
KJZIVTDADVVLOO-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