General Information of the Compound
| Compound ID |
CP0437540
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| Compound Name |
N-(2-methylpropyl)-2-[3-[6-methyl-4-[4-(1H-pyrazol-4-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenoxy]acetamide
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| Structure |
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| Formula |
C29H33N7O2
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| Molecular Weight |
511.63
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| Canonical SMILES |
CC(C)CNC(=O)COc1cccc(c1)-c1nc2CCN(C)Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1
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| InChI |
InChI=1S/C29H33N7O2/c1-19(2)14-30-27(37)18-38-24-6-4-5-21(13-24)28-34-26-11-12-36(3)17-25(26)29(35-28)33-23-9-7-20(8-10-23)22-15-31-32-16-22/h4-10,13,15-16,19H,11-12,14,17-18H2,1-3H3,(H,30,37)(H,31,32)(H,33,34,35)
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| InChIKey |
ZBUBQAUYMPLXJE-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