General Information of the Compound
| Compound ID |
CP0538129
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| Compound Name |
(3S)-3-[4-[[4-[(1-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]methoxy]phenyl]hex-4-ynoic acid
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| Formula |
C35H40N2O3
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| Molecular Weight |
536.716
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C(C)C)c5ccccc45)CC3)cc2)cc1
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| InChI |
InChI=1S/C35H40N2O3/c1-4-7-30(22-34(38)39)29-14-16-31(17-15-29)40-24-28-12-10-27(11-13-28)23-36-20-18-35(19-21-36)25-37(26(2)3)33-9-6-5-8-32(33)35/h5-6,8-17,26,30H,18-25H2,1-3H3,(H,38,39)/t30-/m0/s1
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| InChIKey |
DQWYVKIYWPYHFR-PMERELPUSA-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
Protein ID: PT04613, Free fatty acid receptor 1
Protein ID: PT02522, Free fatty acid receptor 1
Protein ID: PT02793, Free fatty acid receptor 1