General Information of the Compound
| Compound ID |
CP0565783
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| Compound Name |
N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C29H29FN4O4S
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| Molecular Weight |
548.64
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| Canonical SMILES |
CC(=O)N1CCC2(CC1)C(C1CC1)N(c1ccc(NC(=O)c3cccnc3)cc21)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H29FN4O4S/c1-19(35)33-15-12-29(13-16-33)25-17-23(32-28(36)21-3-2-14-31-18-21)8-11-26(25)34(27(29)20-4-5-20)39(37,38)24-9-6-22(30)7-10-24/h2-3,6-11,14,17-18,20,27H,4-5,12-13,15-16H2,1H3,(H,32,36)
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| InChIKey |
VHVYAGBATLGILC-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