General Information of the Compound
| Compound ID |
CP0030583
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| Compound Name |
(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
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| Structure |
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| Formula |
C22H22FN5O6S
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| Molecular Weight |
503.512
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| Canonical SMILES |
C[C@@H]1CN(C(=O)S1)c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O
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| InChI |
InChI=1S/C22H22FN5O6S/c1-8-6-27-14-11(5-22(16(27)10(3)33-8)18(29)24-20(31)25-19(22)30)4-12-15(13(14)23)34-26-17(12)28-7-9(2)35-21(28)32/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9-,10+,16-/m1/s1
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| InChIKey |
VKPFEBWUNOHCOZ-SJBBUJNXSA-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