General Information of the Compound
| Compound ID |
CP0954081
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| Compound Name |
(2S)-2-((((2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)propyl isobutyrate
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| Structure |
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| Formula |
C22H28BrClN3O9P
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| Molecular Weight |
624.809
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| Canonical SMILES |
CC(C)C(=O)OC[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](Cl)(Br)[C@@H]1O)Oc1ccccc1
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| InChI |
InChI=1S/C22H28BrClN3O9P/c1-13(2)19(30)33-11-14(3)26-37(32,36-15-7-5-4-6-8-15)34-12-16-18(29)22(23,24)20(35-16)27-10-9-17(28)25-21(27)31/h4-10,13-14,16,18,20,29H,11-12H2,1-3H3,(H,26,32)(H,25,28,31)/t14-,16+,18+,20+,22-,37?/m0/s1
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| InChIKey |
QTHYJPJCJGLSOU-NVFCPKKYSA-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