General Information of the Compound
| Compound ID |
CP0946841
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| Compound Name |
3-(4-(4-(spiro[indene-1,4'-piperidine]-1'-ylcarbonyl)benzyloxy)phenyl)hex-4-ynoic acid
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| Structure |
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| Formula |
C33H31NO4
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| Molecular Weight |
505.614
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| Canonical SMILES |
CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCC4(C=Cc5ccccc54)CC3)cc2)cc1
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| InChI |
InChI=1S/C33H31NO4/c1-2-5-28(22-31(35)36)25-12-14-29(15-13-25)38-23-24-8-10-27(11-9-24)32(37)34-20-18-33(19-21-34)17-16-26-6-3-4-7-30(26)33/h3-4,6-17,28H,18-23H2,1H3,(H,35,36)
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| InChIKey |
XCYCMOIAODQLHH-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