General Information of the Compound
| Compound ID |
CP0445078
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| Compound Name |
N-[3-[2-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzimidazol-1-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C24H20N8O
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| Molecular Weight |
436.479
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C24H20N8O/c1-3-21(33)28-16-7-6-8-17(11-16)32-20-10-5-4-9-18(20)30-24(32)22-23(25)26-13-19(29-22)15-12-27-31(2)14-15/h3-14H,1H2,2H3,(H2,25,26)(H,28,33)
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| InChIKey |
RXBOMLBFGCXYOP-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