General Information of the Compound
| Compound ID |
CP0578918
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| Compound Name |
4-[(1S)-1-[[2-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C27H28FNO3S
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| Molecular Weight |
465.59
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| Canonical SMILES |
C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2CCCCCc12)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C27H28FNO3S/c1-17(19-10-12-20(13-11-19)27(31)32)29-26(30)25-22-5-3-2-4-6-23(22)33-24(25)16-9-18-7-14-21(28)15-8-18/h7-8,10-15,17H,2-6,9,16H2,1H3,(H,29,30)(H,31,32)/t17-/m0/s1
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| InChIKey |
ZEZNSIGNAJKNCU-KRWDZBQOSA-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