General Information of the Compound
| Compound ID |
CP0962403
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| Compound Name |
3-cyclopropyl-3-(4-((5-(4-(4-fluorophenyl)piperazine-1-carbonyl)thiophen-2-yl)methoxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C28H29FN2O4S
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| Molecular Weight |
508.615
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| Canonical SMILES |
O=C(O)CC(c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1)C1CC1
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| InChI |
InChI=1S/C28H29FN2O4S/c29-21-5-7-22(8-6-21)30-13-15-31(16-14-30)28(34)26-12-11-24(36-26)18-35-23-9-3-20(4-10-23)25(17-27(32)33)19-1-2-19/h3-12,19,25H,1-2,13-18H2,(H,32,33)
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| InChIKey |
KSBFERQTCMDYFJ-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