General Information of the Compound
| Compound ID |
CP0466881
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| Compound Name |
N-[3-[2-[3-amino-6-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazin-2-yl]benzimidazol-1-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C25H22N8O2
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| Molecular Weight |
466.505
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| Canonical SMILES |
Nc1ncc(nc1-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1)-c1cnn(CCO)c1
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| InChI |
InChI=1S/C25H22N8O2/c1-2-22(35)29-17-6-5-7-18(12-17)33-21-9-4-3-8-19(21)31-25(33)23-24(26)27-14-20(30-23)16-13-28-32(15-16)10-11-34/h2-9,12-15,34H,1,10-11H2,(H2,26,27)(H,29,35)
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| InChIKey |
KCMPEKMMIZIXJG-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