General Information of the Compound
| Compound ID |
CP0447094
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| Compound Name |
2-[1-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]acetic acid
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| Structure |
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| Formula |
C28H27F3N4O4
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| Molecular Weight |
540.542
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| Canonical SMILES |
OC(=O)CN1CCC2(CN(c3ccccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
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| InChI |
InChI=1S/C28H27F3N4O4/c29-28(30,31)39-20-11-9-19(10-12-20)32-26(38)33-22-6-2-4-8-24(22)35-18-27(21-5-1-3-7-23(21)35)13-15-34(16-14-27)17-25(36)37/h1-12H,13-18H2,(H,36,37)(H2,32,33,38)
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| InChIKey |
WIGWLFCKWJKTDU-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