General Information of the Compound
| Compound ID |
CP0300576
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| Compound Name |
2-ethoxy-4-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2lambda6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]phenol
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| Structure |
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| Formula |
C23H30FN3O4S
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| Molecular Weight |
463.575
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| Canonical SMILES |
CCOc1cc(CN2CC[C@]3(CN(C)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)ccc1O
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| InChI |
InChI=1S/C23H30FN3O4S/c1-4-31-22-12-18(8-9-21(22)28)15-26-11-10-23(14-17(26)2)16-25(3)32(29,30)27(23)20-7-5-6-19(24)13-20/h5-9,12-13,17,28H,4,10-11,14-16H2,1-3H3/t17-,23+/m0/s1
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| InChIKey |
DEFLCPSFZIHYEF-GAJHUEQPSA-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