General Information of the Compound
| Compound ID |
CP0529993
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| Compound Name |
N-[1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-oxane]-5-yl]pyridine-3-carboxamide
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| Formula |
C25H24FN3O4S
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| Molecular Weight |
481.549
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| Canonical SMILES |
CC1N(c2ccc(NC(=O)c3cccnc3)cc2C11CCOCC1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H24FN3O4S/c1-17-25(10-13-33-14-11-25)22-15-20(28-24(30)18-3-2-12-27-16-18)6-9-23(22)29(17)34(31,32)21-7-4-19(26)5-8-21/h2-9,12,15-17H,10-11,13-14H2,1H3,(H,28,30)
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| InChIKey |
NXVJXSYQDOMGPN-UHFFFAOYSA-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