General Information of the Compound
| Compound ID |
CP0915855
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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-((S)-2-oxoazepan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
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| Structure |
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| Formula |
C22H29N5O12
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| Molecular Weight |
555.497
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| Canonical SMILES |
NC(=O)[C@H](O[C@H]1OC(C(=O)N[C@H]2CCCCNC2=O)=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/C22H29N5O12/c23-17(33)16(15-13(31)14(32)20(38-15)27-6-4-11(29)26-22(27)36)39-21-12(30)9(28)7-10(37-21)19(35)25-8-3-1-2-5-24-18(8)34/h4,6-9,12-16,20-21,28,30-32H,1-3,5H2,(H2,23,33)(H,24,34)(H,25,35)(H,26,29,36)/t8-,9-,12-,13-,14+,15-,16+,20+,21+/m0/s1
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| InChIKey |
ROPNVEBUXSKZCY-OXHOPNEESA-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