General Information of the Compound
| Compound ID |
CP0448389
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| Compound Name |
2-[2-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-6-[4-(morpholine-4-carbonyl)anilino]purin-9-yl]acetic acid
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| Structure |
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| Formula |
C36H37N7O5
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| Molecular Weight |
647.736
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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)=O)c2n1
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| InChI |
InChI=1S/C36H37N7O5/c1-22-27(6-5-7-28(22)39-34(46)23-8-12-25(13-9-23)36(2,3)4)31-40-32(30-33(41-31)43(21-37-30)20-29(44)45)38-26-14-10-24(11-15-26)35(47)42-16-18-48-19-17-42/h5-15,21H,16-20H2,1-4H3,(H,39,46)(H,44,45)(H,38,40,41)
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| InChIKey |
LYDIMQVMGYYWRJ-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