General Information of the Compound
| Compound ID |
CP0503467
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| Compound Name |
3-butyl-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine
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| Structure |
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| Formula |
C21H29Cl2N3
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| Molecular Weight |
394.39
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| Canonical SMILES |
CCCCc1nc(c(CC)nc1NC(CC)CC)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C21H29Cl2N3/c1-5-9-10-19-21(24-15(6-2)7-3)26-18(8-4)20(25-19)16-12-11-14(22)13-17(16)23/h11-13,15H,5-10H2,1-4H3,(H,24,26)
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| InChIKey |
CXCXCAAOXWLFFR-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