General Information of the Compound
| Compound ID |
CP0425397
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| Compound Name |
4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
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| Structure |
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| Formula |
C20H25N5O4
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| Molecular Weight |
399.451
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| Canonical SMILES |
CCOc1nc(Nc2ccc(cc2OC)C(=O)NCC(C)(C)O)nc2[nH]ccc12
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| InChI |
InChI=1S/C20H25N5O4/c1-5-29-18-13-8-9-21-16(13)24-19(25-18)23-14-7-6-12(10-15(14)28-4)17(26)22-11-20(2,3)27/h6-10,27H,5,11H2,1-4H3,(H,22,26)(H2,21,23,24,25)
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| InChIKey |
PBUIMZPVMYITCU-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