General Information of the Compound
| Compound ID |
CP0868807
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| Compound Name |
Rac-1-[3-(4-[4-[(5-Methyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl)pyrrolidin-1-yl]prop-2-en-1-one
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| Formula |
C26H32N8O
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| Molecular Weight |
472.597
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| Canonical SMILES |
C=CC(=O)N1CCC(c2ccc(-c3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C)CC4)n3)cc2)C1
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| InChI |
InChI=1S/C26H32N8O/c1-4-25(35)34-10-9-21(17-34)19-5-7-20(8-6-19)26-28-22(27-23-15-18(2)30-31-23)16-24(29-26)33-13-11-32(3)12-14-33/h4-8,15-16,21H,1,9-14,17H2,2-3H3,(H2,27,28,29,30,31)
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| InChIKey |
BHIGBIGJIDWVOR-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