General Information of the Compound
| Compound ID |
CP0518120
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| Compound Name |
methyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate
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| Structure |
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| Formula |
C23H23F3N2O3
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| Molecular Weight |
432.442
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| Canonical SMILES |
COC(=O)CN1C(=O)C2(CCN(Cc3cccc(c3)C(F)(F)F)CC2)c2ccccc12
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| InChI |
InChI=1S/C23H23F3N2O3/c1-31-20(29)15-28-19-8-3-2-7-18(19)22(21(28)30)9-11-27(12-10-22)14-16-5-4-6-17(13-16)23(24,25)26/h2-8,13H,9-12,14-15H2,1H3
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| InChIKey |
GYQHSQVYENCZDE-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