General Information of the Compound
| Compound ID |
CP0579001
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| Compound Name |
3-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C25H33N7O
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| Molecular Weight |
447.587
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)N1CCC(C1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1
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| InChI |
InChI=1S/C25H33N7O/c1-17-12-18(22-8-10-26-23(30-22)29-21-14-28-31(5)16-21)6-7-19(17)13-27-24(33)32-11-9-20(15-32)25(2,3)4/h6-8,10,12,14,16,20H,9,11,13,15H2,1-5H3,(H,27,33)(H,26,29,30)
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| InChIKey |
HOXKTYDQFDMUQB-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