General Information of the Compound
| Compound ID |
CP0571420
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| Compound Name |
4-tert-butyl-N-[3-[9-methyl-6-[4-(morpholine-4-carbonyl)anilino]purin-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C34H35N7O3
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| Molecular Weight |
589.7
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| Canonical SMILES |
Cn1cnc2c(Nc3ccc(cc3)C(=O)N3CCOCC3)nc(nc12)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1
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| InChI |
InChI=1S/C34H35N7O3/c1-34(2,3)25-12-8-22(9-13-25)32(42)37-27-7-5-6-24(20-27)29-38-30(28-31(39-29)40(4)21-35-28)36-26-14-10-23(11-15-26)33(43)41-16-18-44-19-17-41/h5-15,20-21H,16-19H2,1-4H3,(H,37,42)(H,36,38,39)
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| InChIKey |
IUNXNSQTYLDMMB-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