General Information of the Compound
| Compound ID |
CP0439033
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| Compound Name |
2-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethylcarbamoyloxymethyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
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| Structure |
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| Formula |
C40H43N7O10
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| Molecular Weight |
781.823
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)OCN(CC(O)=O)C(=O)OCC2c3ccccc3-c3ccccc23)cc1
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| InChI |
InChI=1S/C40H43N7O10/c1-3-19-46-36-34(37(51)47(20-4-2)39(46)53)43-35(44-36)25-13-15-26(16-14-25)55-23-32(48)41-17-18-42-38(52)57-24-45(21-33(49)50)40(54)56-22-31-29-11-7-5-9-27(29)28-10-6-8-12-30(28)31/h5-16,31H,3-4,17-24H2,1-2H3,(H,41,48)(H,42,52)(H,43,44)(H,49,50)
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| InChIKey |
WHOFFZQVECYNTF-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