General Information of the Compound
| Compound ID |
CP0501802
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| Compound Name |
(R)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-((1-methylpyrrolidin-3-yloxy)methyl)phenyl)pyrimidin-4-yl)acetamide
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| Structure |
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| Formula |
C23H28N6O2
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| Molecular Weight |
420.517
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| Canonical SMILES |
CN1CC[C@H](C1)OCc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
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| InChI |
InChI=1S/C23H28N6O2/c1-15-10-16(2)29(27-15)23-25-21(12-22(26-23)24-17(3)30)19-7-5-6-18(11-19)14-31-20-8-9-28(4)13-20/h5-7,10-12,20H,8-9,13-14H2,1-4H3,(H,24,25,26,30)/t20-/m1/s1
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| InChIKey |
HQGPRKKHKJMXJP-HXUWFJFHSA-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