General Information of the Compound
| Compound ID |
CP0894410
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| Compound Name |
(6R)-6-fluoro-8-((R)-2-hydroxy-2-(5H-tetrazolo[5,1-a]isoindol-8-yl)ethyl)-2-(4-methyl-5-oxo-2,5-dihydrofuran-3-yl)-2,8-diazaspiro[4.5]decan-1-one
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| Structure |
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| Formula |
C23H25FN6O4
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| Molecular Weight |
468.489
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| Canonical SMILES |
CC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4)-c4nnnn4C5)C[C@@H]3F)C2=O)COC1=O
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| InChI |
InChI=1S/C23H25FN6O4/c1-13-17(12-34-21(13)32)29-7-5-23(22(29)33)4-6-28(11-19(23)24)10-18(31)14-2-3-15-9-30-20(16(15)8-14)25-26-27-30/h2-3,8,18-19,31H,4-7,9-12H2,1H3/t18-,19-,23?/m0/s1
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| InChIKey |
NXQKFCQQHKZSOW-GVLQVIKUSA-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