General Information of the Compound
| Compound ID |
CP0757606
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| Compound Name |
2-(4-(2-(1,3-dibutyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyrimido[2,1-f]purin-9(6H)-yl)ethyl)phenoxy)-N-(3-(diethylamino)propyl)acetamide
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| Structure |
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| Formula |
C33H51N7O4
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| Molecular Weight |
609.816
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| Canonical SMILES |
CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCN(CC)CC)cc2)n(CCCC)c1=O
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| InChI |
InChI=1S/C33H51N7O4/c1-5-9-21-39-30-29(31(42)40(33(39)43)22-10-6-2)38-23-12-20-37(32(38)35-30)24-17-26-13-15-27(16-14-26)44-25-28(41)34-18-11-19-36(7-3)8-4/h13-16H,5-12,17-25H2,1-4H3,(H,34,41)
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| InChIKey |
FCICSYWLKUXKAR-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