General Information of the Compound
| Compound ID |
CP0503465
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| Compound Name |
5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
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| Structure |
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| Formula |
C18H22ClF2N3O2
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| Molecular Weight |
385.842
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| Canonical SMILES |
CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(OC(F)F)cc1Cl
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| InChI |
InChI=1S/C18H22ClF2N3O2/c1-5-11(6-2)23-16-17(25-4)24-15(10(3)22-16)13-8-7-12(9-14(13)19)26-18(20)21/h7-9,11,18H,5-6H2,1-4H3,(H,22,23)
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| InChIKey |
ZSZUGKYWBNLPED-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