General Information of the Compound
| Compound ID |
CP0481321
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| Compound Name |
4-tert-butyl-N-[2-methyl-3-[6-[4-(morpholine-4-carbonyl)anilino]-9-propylpurin-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C37H41N7O3
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| Molecular Weight |
631.781
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| Canonical SMILES |
CCCn1cnc2c(Nc3ccc(cc3)C(=O)N3CCOCC3)nc(nc12)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C
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| InChI |
InChI=1S/C37H41N7O3/c1-6-18-44-23-38-31-33(39-28-16-12-26(13-17-28)36(46)43-19-21-47-22-20-43)41-32(42-34(31)44)29-8-7-9-30(24(29)2)40-35(45)25-10-14-27(15-11-25)37(3,4)5/h7-17,23H,6,18-22H2,1-5H3,(H,40,45)(H,39,41,42)
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| InChIKey |
SQOQEGJXWTVUBU-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