General Information of the Compound
| Compound ID |
CP0906545
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| Compound Name |
3-(4-((5-(4-(4-tert-butylphenyl)piperazine-1-carbonyl)thiophen-2-yl)methoxy)phenyl)hex-4-ynoic acid
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| Structure |
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| Formula |
C32H36N2O4S
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| Molecular Weight |
544.717
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| Canonical SMILES |
CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)s2)cc1
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| InChI |
InChI=1S/C32H36N2O4S/c1-5-6-24(21-30(35)36)23-7-13-27(14-8-23)38-22-28-15-16-29(39-28)31(37)34-19-17-33(18-20-34)26-11-9-25(10-12-26)32(2,3)4/h7-16,24H,17-22H2,1-4H3,(H,35,36)
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| InChIKey |
KHYIKWFDQOJAGD-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