General Information of the Compound
| Compound ID |
CP0969010
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| Compound Name |
(2S,3S,4S)-2-((1R)-2-Amino-1-((2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)-2-oxoethoxy)-3,4-dihydroxy-N-(4-(4-(4-(trifluoromethoxy)-phenoxy)piperidin-1-yl)benzyl)-3,4-dihydro-2H-pyran-6-carboxamide
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| Formula |
C35H38F3N5O13
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| Molecular Weight |
793.705
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| Canonical SMILES |
NC(=O)[C@H](O[C@H]1OC(C(=O)NCc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)=C[C@H](O)[C@@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C35H38F3N5O13/c36-35(37,38)56-21-7-5-19(6-8-21)52-20-9-12-42(13-10-20)18-3-1-17(2-4-18)16-40-31(50)23-15-22(44)25(46)33(53-23)55-29(30(39)49)28-26(47)27(48)32(54-28)43-14-11-24(45)41-34(43)51/h1-8,11,14-15,20,22,25-29,32-33,44,46-48H,9-10,12-13,16H2,(H2,39,49)(H,40,50)(H,41,45,51)/t22-,25-,26-,27+,28-,29+,32+,33+/m0/s1
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| InChIKey |
ISDMOEOYNOKVHM-GSVSWPKUSA-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