General Information of the Compound
| Compound ID |
CP0547265
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| Compound Name |
N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
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| Structure |
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| Formula |
C18H17ClFN5O2
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| Molecular Weight |
389.818
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| Canonical SMILES |
CN1C[C@](C)(N=C(N)C1=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
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| InChI |
InChI=1S/C18H17ClFN5O2/c1-18(9-25(2)17(27)15(21)24-18)12-7-11(4-5-13(12)20)23-16(26)14-6-3-10(19)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)(H,23,26)/t18-/m0/s1
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| InChIKey |
IBPGEEKFYIPLRV-SFHVURJKSA-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