General Information of the Compound
| Compound ID |
CP0513251
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| Compound Name |
5-((2-(2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)acetamido)ethyl)carbamoyl)-2-(6-(dimethylamino)-3-(dimethylimino)-3Hxanthen-9-yl)benzoate
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| Structure |
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| Formula |
C48H45N11O7
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| Molecular Weight |
887.958
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| Canonical SMILES |
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCNC(=O)COc3ccc(CCCn4ncc5c4nc(N)n4nc(nc54)-c4ccco4)cc3)c3ccc(cc3oc2c1)=[N+](C)C
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| InChI |
InChI=1S/C48H45N11O7/c1-56(2)30-12-17-34-39(24-30)66-40-25-31(57(3)4)13-18-35(40)42(34)33-16-11-29(23-36(33)47(62)63)46(61)51-20-19-50-41(60)27-65-32-14-9-28(10-15-32)7-5-21-58-44-37(26-52-58)45-53-43(38-8-6-22-64-38)55-59(45)48(49)54-44/h6,8-18,22-26H,5,7,19-21,27H2,1-4H3,(H4-,49,50,51,52,53,54,55,60,61,62,63)
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| InChIKey |
UKMXRDZZVDKYFJ-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