General Information of the Compound
| Compound ID |
CP0537733
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| Compound Name |
1-(5-tert-butyl-2-cyclopentylpyrazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
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| Structure |
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| Formula |
C24H28N8O2
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| Molecular Weight |
460.542
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)n(n1)C1CCCC1
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| InChI |
InChI=1S/C24H28N8O2/c1-24(2,3)19-12-20(32(31-19)16-6-4-5-7-16)29-23(33)28-15-8-10-17(11-9-15)34-22-18-13-27-30-21(18)25-14-26-22/h8-14,16H,4-7H2,1-3H3,(H2,28,29,33)(H,25,26,27,30)
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| InChIKey |
ZFLODFPVHUDXBV-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