General Information of the Compound
| Compound ID |
CP0499371
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| Compound Name |
ethyl 7-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
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| Structure |
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| Formula |
C21H22ClN5O2
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| Molecular Weight |
411.893
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| Canonical SMILES |
CCOC(=O)c1cn2CCN(Cc2n1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
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| InChI |
InChI=1S/C21H22ClN5O2/c1-4-29-21(28)17-11-26-5-6-27(12-19(26)25-17)18-8-15(16(22)10-23-18)20-14(3)7-13(2)9-24-20/h7-11H,4-6,12H2,1-3H3
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| InChIKey |
YSEMUIFELHGCRR-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