General Information of the Compound
| Compound ID |
CP0563658
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| Compound Name |
(3S)-3-[4-[[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)phenyl]methoxy]phenyl]hex-4-ynoic acid
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| Formula |
C33H35NO3
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| Molecular Weight |
493.647
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN3CCC4(CCc5ccccc45)CC3)c2)cc1
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| InChI |
InChI=1S/C33H35NO3/c1-2-6-29(22-32(35)36)27-11-13-30(14-12-27)37-24-26-8-5-7-25(21-26)23-34-19-17-33(18-20-34)16-15-28-9-3-4-10-31(28)33/h3-5,7-14,21,29H,15-20,22-24H2,1H3,(H,35,36)/t29-/m0/s1
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| InChIKey |
INEZQTGZUWAXJQ-LJAQVGFWSA-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