General Information of the Compound
| Compound ID |
CP0513835
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| Compound Name |
2-[1-[(4-tert-butylphenyl)methyl]-5-(3-chloro-4-fluorophenyl)indol-3-yl]acetamide
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| Structure |
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| Formula |
C27H26ClFN2O
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| Molecular Weight |
448.969
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| Canonical SMILES |
CC(C)(C)c1ccc(Cn2cc(CC(N)=O)c3cc(ccc23)-c2ccc(F)c(Cl)c2)cc1
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| InChI |
InChI=1S/C27H26ClFN2O/c1-27(2,3)21-8-4-17(5-9-21)15-31-16-20(14-26(30)32)22-12-18(7-11-25(22)31)19-6-10-24(29)23(28)13-19/h4-13,16H,14-15H2,1-3H3,(H2,30,32)
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| InChIKey |
CUKTXVZXDAUNOQ-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