General Information of the Compound
| Compound ID |
CP0943891
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| Compound Name |
3-(4-(4-(4-(4-fluorophenyl)piperazine-1-carbonyl)benzyloxy)phenyl)hex-4-ynoic acid
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| Structure |
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| Formula |
C30H29FN2O4
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| Molecular Weight |
500.57
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| Canonical SMILES |
CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)cc1
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| InChI |
InChI=1S/C30H29FN2O4/c1-2-3-25(20-29(34)35)23-8-14-28(15-9-23)37-21-22-4-6-24(7-5-22)30(36)33-18-16-32(17-19-33)27-12-10-26(31)11-13-27/h4-15,25H,16-21H2,1H3,(H,34,35)
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| InChIKey |
CYTJNEBISYHLRO-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