General Information of the Compound
| Compound ID |
CP0077286
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| Compound Name |
[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5,6-difluoro-1H-benzimidazol-2-yl)methanimine
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| Structure |
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| Formula |
C15H17F2N5
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| Molecular Weight |
305.332
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| Canonical SMILES |
CN1C[C@H]2CN(C[C@H]2C1)C(=N)c1nc2cc(F)c(F)cc2[nH]1
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| InChI |
InChI=1S/C15H17F2N5/c1-21-4-8-6-22(7-9(8)5-21)14(18)15-19-12-2-10(16)11(17)3-13(12)20-15/h2-3,8-9,18H,4-7H2,1H3,(H,19,20)/t8-,9+
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| InChIKey |
KPNXFEQRRQVTRX-DTORHVGOSA-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