General Information of the Compound
| Compound ID |
CP0512524
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| Compound Name |
5-(2,4-dichlorophenyl)-6-ethyl-3-iodo-N-pentan-3-ylpyrazin-2-amine
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| Structure |
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| Formula |
C17H20Cl2IN3
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| Molecular Weight |
464.178
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| Canonical SMILES |
CCC(CC)Nc1nc(CC)c(nc1I)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C17H20Cl2IN3/c1-4-11(5-2)21-17-16(20)23-15(14(6-3)22-17)12-8-7-10(18)9-13(12)19/h7-9,11H,4-6H2,1-3H3,(H,21,22)
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| InChIKey |
BVPKQHXGXQMARP-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