General Information of the Compound
| Compound ID |
CP0960688
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| Compound Name |
1-(2-{[2-(1H-1,3-Benzodiazol-2-yl)ethyl]amino}ethyl)-N-[(3-fluoropyridin-2-yl)methyl]-5-methyl-1H-imidazole-4-carboxamide
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| Structure |
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| Formula |
C22H24FN7O
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| Molecular Weight |
421.48
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| Canonical SMILES |
Cc1c(C(=O)NCc2ncccc2F)ncn1CCNCCc1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C22H24FN7O/c1-15-21(22(31)26-13-19-16(23)5-4-9-25-19)27-14-30(15)12-11-24-10-8-20-28-17-6-2-3-7-18(17)29-20/h2-7,9,14,24H,8,10-13H2,1H3,(H,26,31)(H,28,29)
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| InChIKey |
BZEXUPCNANUOSL-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