General Information of the Compound
| Compound ID |
CP0474062
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| Compound Name |
N-[4-[2-[3-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]benzimidazol-1-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C29H29N9O
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| Molecular Weight |
519.613
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| Canonical SMILES |
CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1ccc(NC(=O)C=C)cc1
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| InChI |
InChI=1S/C29H29N9O/c1-3-26(39)33-20-8-10-22(11-9-20)38-25-7-5-4-6-23(25)35-29(38)27-28(30)31-17-24(34-27)19-16-32-37(18-19)21-12-14-36(2)15-13-21/h3-11,16-18,21H,1,12-15H2,2H3,(H2,30,31)(H,33,39)
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| InChIKey |
NYZWJLQCFAMHCL-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