General Information of the Compound
| Compound ID |
CP0962284
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| Compound Name |
1-(4-[4-[4-(4-Methylpiperazin-1-yl)-6-[[5-(oxetan-3-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]phenyl]piperidin-1-yl)prop-2-en-1-one
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| Formula |
C29H36N8O2
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| Molecular Weight |
528.661
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| Canonical SMILES |
C=CC(=O)N1CCC(c2ccc(-c3nc(Nc4cc(C5COC5)[nH]n4)cc(N4CCN(C)CC4)n3)cc2)CC1
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| InChI |
InChI=1S/C29H36N8O2/c1-3-28(38)37-10-8-21(9-11-37)20-4-6-22(7-5-20)29-31-25(17-27(32-29)36-14-12-35(2)13-15-36)30-26-16-24(33-34-26)23-18-39-19-23/h3-7,16-17,21,23H,1,8-15,18-19H2,2H3,(H2,30,31,32,33,34)
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| InChIKey |
GVVDKQTYITWXIQ-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