General Information of the Compound
| Compound ID |
CP0568726
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| Compound Name |
2-chloro-N-(2,2-dimethylpropyl)-N-[[4-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]phenyl]methyl]pyrimidin-4-amine
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| Structure |
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| Formula |
C26H36ClN5
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| Molecular Weight |
454.062
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| Canonical SMILES |
CC(C)N1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3ccnc(Cl)n3)cc2)CC1
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| InChI |
InChI=1S/C26H36ClN5/c1-21(2)31-17-15-30(16-18-31)14-6-7-22-8-10-23(11-9-22)19-32(20-26(3,4)5)24-12-13-28-25(27)29-24/h8-13,21H,14-20H2,1-5H3
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| InChIKey |
IXDKZEYFSRQOTF-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