General Information of the Compound
| Compound ID |
CP0476127
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| Compound Name |
N-(2,2-dimethylpropyl)-2-methoxy-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 |
C27H39N5O
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| Molecular Weight |
449.643
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| Canonical SMILES |
COc1nccc(n1)N(Cc1ccc(cc1)C#CCN1CCN(CC1)C(C)C)CC(C)(C)C
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| InChI |
InChI=1S/C27H39N5O/c1-22(2)31-18-16-30(17-19-31)15-7-8-23-9-11-24(12-10-23)20-32(21-27(3,4)5)25-13-14-28-26(29-25)33-6/h9-14,22H,15-21H2,1-6H3
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| InChIKey |
RHRLEMPWTIKNII-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