General Information of the Compound
| Compound ID |
CP0574629
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| Compound Name |
N-[(3-fluorophenyl)methyl]-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
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| Structure |
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| Formula |
C29H34FN9O2
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| Molecular Weight |
559.65
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| Canonical SMILES |
Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)NCc4cccc(F)c4)cc3)n2)N2CCN(CCO)CC2)[nH]n1
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| InChI |
InChI=1S/C29H34FN9O2/c1-20-15-26(37-36-20)33-25-18-27(39-11-9-38(10-12-39)13-14-40)35-29(34-25)32-24-7-5-21(6-8-24)17-28(41)31-19-22-3-2-4-23(30)16-22/h2-8,15-16,18,40H,9-14,17,19H2,1H3,(H,31,41)(H3,32,33,34,35,36,37)
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| InChIKey |
BDPHUPZZIHXFMH-UHFFFAOYSA-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