General Information of the Compound
| Compound ID |
CP0949263
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| Compound Name |
3-(4-((2-(4-(4-fluorophenyl)piperazine-1-carbonyl)thiazol-5-yl)methoxy)phenyl)hex-4-ynoic acid
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| Structure |
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| Formula |
C27H26FN3O4S
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| Molecular Weight |
507.587
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| Canonical SMILES |
CC#CC(CC(=O)O)c1ccc(OCc2cnc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1
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| InChI |
InChI=1S/C27H26FN3O4S/c1-2-3-20(16-25(32)33)19-4-10-23(11-5-19)35-18-24-17-29-26(36-24)27(34)31-14-12-30(13-15-31)22-8-6-21(28)7-9-22/h4-11,17,20H,12-16,18H2,1H3,(H,32,33)
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| InChIKey |
KVMSOKMYDYOVLH-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