General Information of the Compound
| Compound ID |
CP0535430
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| Compound Name |
N-benzhydryl-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
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| Structure |
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| Formula |
C32H33N5O4
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| Molecular Weight |
551.647
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C32H33N5O4/c1-3-19-36-30-28(31(39)37(20-4-2)32(36)40)34-29(35-30)24-15-17-25(18-16-24)41-21-26(38)33-27(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18,27H,3-4,19-21H2,1-2H3,(H,33,38)(H,34,35)
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| InChIKey |
OZWAKGSVFODGAG-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