General Information of the Compound
| Compound ID |
CP0383723
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| Compound Name |
N-[(3R,4R)-1-[6-[(1-ethyl-3-methoxypyrazol-4-yl)amino]-9-methylpurin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide
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| Structure |
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| Formula |
C19H24FN9O2
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| Molecular Weight |
429.46
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| Canonical SMILES |
CCn1cc(Nc2nc(nc3n(C)cnc23)N2C[C@@H](F)[C@@H](C2)NC(=O)C=C)c(OC)n1
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| InChI |
InChI=1S/C19H24FN9O2/c1-5-14(30)22-12-8-28(7-11(12)20)19-24-16(15-17(25-19)27(3)10-21-15)23-13-9-29(6-2)26-18(13)31-4/h5,9-12H,1,6-8H2,2-4H3,(H,22,30)(H,23,24,25)/t11-,12-/m1/s1
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| InChIKey |
PSPIKBBNOVUACC-VXGBXAGGSA-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
Protein ID: PT00922, Epidermal growth factor receptor