General Information of the Compound
| Compound ID |
CP0926481
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| Compound Name |
(2R)-3-[[2-[[(1S)-1-(4-Fluorophenyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]propane-1,2-diol
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| Structure |
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| Formula |
C19H24FN7O2
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| Molecular Weight |
401.446
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| Canonical SMILES |
Cc1cc(Nc2cc(NC[C@@H](O)CO)nc(N[C@@H](C)c3ccc(F)cc3)n2)n[nH]1
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| InChI |
InChI=1S/C19H24FN7O2/c1-11-7-18(27-26-11)23-17-8-16(21-9-15(29)10-28)24-19(25-17)22-12(2)13-3-5-14(20)6-4-13/h3-8,12,15,28-29H,9-10H2,1-2H3,(H4,21,22,23,24,25,26,27)/t12-,15+/m0/s1
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| InChIKey |
DGMFWDCPJFKXRN-SWLSCSKDSA-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