General Information of the Compound
| Compound ID |
CP0443096
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| Compound Name |
4-tert-butyl-N-[2-methyl-5-[6-[4-(morpholine-4-carbonyl)anilino]-7H-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 |
Cc1ccc(cc1NC(=O)c1ccc(cc1)C(C)(C)C)-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
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| InChI |
InChI=1S/C34H35N7O3/c1-21-5-6-24(19-27(21)38-32(42)22-7-11-25(12-8-22)34(2,3)4)29-39-30-28(35-20-36-30)31(40-29)37-26-13-9-23(10-14-26)33(43)41-15-17-44-18-16-41/h5-14,19-20H,15-18H2,1-4H3,(H,38,42)(H2,35,36,37,39,40)
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| InChIKey |
NYOKXFMBNLZDJV-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