General Information of the Compound
| Compound ID |
CP0016657
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| Compound Name |
2-[(2-{[2-methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
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| Structure |
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| Formula |
C28H31N7O
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| Molecular Weight |
481.604
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| Canonical SMILES |
CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(C)c1
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| InChI |
InChI=1S/C28H31N7O/c1-3-14-35-15-6-7-20(17-35)19-10-11-23(18(2)16-19)32-28-33-26-22(12-13-30-26)27(34-28)31-24-9-5-4-8-21(24)25(29)36/h4-5,7-13,16H,3,6,14-15,17H2,1-2H3,(H2,29,36)(H3,30,31,32,33,34)
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| InChIKey |
MCHOTIIDAJHLED-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