General Information of the Compound
| Compound ID |
CP0907073
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| Compound Name |
N-[4-[(E)-2-[4-[(5-Methyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]ethenyl]bicyclo[2.2.2]octan-1-yl]prop-2-enamide
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| Formula |
C26H36N8O
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| Molecular Weight |
476.629
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| Canonical SMILES |
C=CC(=O)NC12CCC(/C=C/c3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C)CC4)n3)(CC1)CC2
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| InChI |
InChI=1S/C26H36N8O/c1-4-24(35)30-26-10-7-25(8-11-26,9-12-26)6-5-20-27-21(28-22-17-19(2)31-32-22)18-23(29-20)34-15-13-33(3)14-16-34/h4-6,17-18H,1,7-16H2,2-3H3,(H,30,35)(H2,27,28,29,31,32)/b6-5+
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| InChIKey |
GGEBDSBRZUARNY-AATRIKPKSA-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