General Information of the Compound
| Compound ID |
CP0559021
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| Compound Name |
4-tert-butyl-N-[2-methyl-3-[6-[4-(morpholine-4-carbonyl)anilino]-9-(2-phenylethyl)purin-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C42H43N7O3
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| Molecular Weight |
693.852
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2ncn(CCc3ccccc3)c2n1
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| InChI |
InChI=1S/C42H43N7O3/c1-28-34(11-8-12-35(28)45-40(50)30-13-17-32(18-14-30)42(2,3)4)37-46-38(36-39(47-37)49(27-43-36)22-21-29-9-6-5-7-10-29)44-33-19-15-31(16-20-33)41(51)48-23-25-52-26-24-48/h5-20,27H,21-26H2,1-4H3,(H,45,50)(H,44,46,47)
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| InChIKey |
YFZPFRWPYRPJHY-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