General Information of the Compound
| Compound ID |
CP0034062
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| Compound Name |
(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-(5-oxo-4-oxa-6-azaspiro[2.4]heptan-6-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 |
C23H22FN5O7
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| Molecular Weight |
499.455
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| Canonical SMILES |
C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2CC3(CC3)OC2=O)C(=O)NC(=O)NC1=O
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| InChI |
InChI=1S/C23H22FN5O7/c1-9-7-28-14-11(6-23(16(28)10(2)34-9)18(30)25-20(32)26-19(23)31)5-12-15(13(14)24)36-27-17(12)29-8-22(3-4-22)35-21(29)33/h5,9-10,16H,3-4,6-8H2,1-2H3,(H2,25,26,30,31,32)/t9-,10+,16-/m1/s1
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| InChIKey |
QKEDBKFDVRJINN-KCWFYHRYSA-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