General Information of the Compound
| Compound ID |
CP0565388
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| Compound Name |
4-tert-butyl-N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-7H-purin-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C33H33N7O3
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| Molecular Weight |
575.673
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
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| InChI |
InChI=1S/C33H33N7O3/c1-33(2,3)24-11-7-21(8-12-24)31(41)37-26-6-4-5-23(19-26)28-38-29-27(34-20-35-29)30(39-28)36-25-13-9-22(10-14-25)32(42)40-15-17-43-18-16-40/h4-14,19-20H,15-18H2,1-3H3,(H,37,41)(H2,34,35,36,38,39)
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| InChIKey |
HUKRGZNMSWOUTC-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