General Information of the Compound
| Compound ID |
CP0427616
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethyl]propanamide
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| Structure |
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| Formula |
C27H25FN2O3S
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| Molecular Weight |
476.573
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| Canonical SMILES |
CC(C(=O)NCC=C1c2ccccc2C=Cc2ccccc12)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C27H25FN2O3S/c1-18(21-13-14-26(25(28)17-21)30-34(2,32)33)27(31)29-16-15-24-22-9-5-3-7-19(22)11-12-20-8-4-6-10-23(20)24/h3-15,17-18,30H,16H2,1-2H3,(H,29,31)
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| InChIKey |
VYMCRSBPKJYBLQ-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