General Information of the Compound
| Compound ID |
CP0497402
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| Compound Name |
4-tert-butyl-N-[2-methyl-3-[9-methyl-6-(4-piperazin-1-ylanilino)purin-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C34H38N8O
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| Molecular Weight |
574.733
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)N2CCNCC2)c2ncn(C)c2n1
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| InChI |
InChI=1S/C34H38N8O/c1-22-27(7-6-8-28(22)38-33(43)23-9-11-24(12-10-23)34(2,3)4)30-39-31(29-32(40-30)41(5)21-36-29)37-25-13-15-26(16-14-25)42-19-17-35-18-20-42/h6-16,21,35H,17-20H2,1-5H3,(H,38,43)(H,37,39,40)
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| InChIKey |
LWDDIVHRTHJDBZ-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