General Information of the Compound
| Compound ID |
CP0388999
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| Compound Name |
[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)methanimine
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| Structure |
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| Formula |
C16H20FN5
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| Molecular Weight |
301.369
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| Canonical SMILES |
CN1C[C@H]2CN(C[C@H]2C1)C(=N)c1nc2ccc(F)c(C)c2[nH]1
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| InChI |
InChI=1S/C16H20FN5/c1-9-12(17)3-4-13-14(9)20-16(19-13)15(18)22-7-10-5-21(2)6-11(10)8-22/h3-4,10-11,18H,5-8H2,1-2H3,(H,19,20)/t10-,11+
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| InChIKey |
IQFSLGXXRJNFFI-PHIMTYICSA-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