General Information of the Compound
| Compound ID |
CP0571039
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| Compound Name |
N-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C22H27N7O2
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| Molecular Weight |
421.505
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| Canonical SMILES |
Cc1nc(NC(=O)c2cccc(n2)-c2cnn(C)c2)cc(n1)N1CC[C@H](C1)C(C)(C)O
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| InChI |
InChI=1S/C22H27N7O2/c1-14-24-19(10-20(25-14)29-9-8-16(13-29)22(2,3)31)27-21(30)18-7-5-6-17(26-18)15-11-23-28(4)12-15/h5-7,10-12,16,31H,8-9,13H2,1-4H3,(H,24,25,27,30)/t16-/m1/s1
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| InChIKey |
UPSNQHGCEYRORJ-MRXNPFEDSA-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