General Information of the Compound
| Compound ID |
CP0566904
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| Compound Name |
N-[2-[2-[3-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]benzimidazol-1-yl]ethyl]prop-2-enamide
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| Structure |
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| Formula |
C25H29N9O
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| Molecular Weight |
471.569
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| Canonical SMILES |
CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1CCNC(=O)C=C
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| InChI |
InChI=1S/C25H29N9O/c1-3-22(35)27-10-13-33-21-7-5-4-6-19(21)31-25(33)23-24(26)28-15-20(30-23)17-14-29-34(16-17)18-8-11-32(2)12-9-18/h3-7,14-16,18H,1,8-13H2,2H3,(H2,26,28)(H,27,35)
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| InChIKey |
ZRUKPUSUZXGTPC-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