General Information of the Compound
| Compound ID |
CP0473854
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| Compound Name |
tert-butyl 2-[2-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-6-[4-(morpholine-4-carbonyl)anilino]purin-9-yl]acetate
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| Structure |
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| Formula |
C40H45N7O5
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| Molecular Weight |
703.844
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2ncn(CC(=O)OC(C)(C)C)c2n1
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| InChI |
InChI=1S/C40H45N7O5/c1-25-30(9-8-10-31(25)43-37(49)26-11-15-28(16-12-26)39(2,3)4)34-44-35(33-36(45-34)47(24-41-33)23-32(48)52-40(5,6)7)42-29-17-13-27(14-18-29)38(50)46-19-21-51-22-20-46/h8-18,24H,19-23H2,1-7H3,(H,43,49)(H,42,44,45)
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| InChIKey |
OPUCVSMBLLMPNV-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