General Information of the Compound
| Compound ID |
CP0540053
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylindole-3-carboxamide
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| Structure |
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| Formula |
C37H39FN6O3
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| Molecular Weight |
634.756
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(Cc4ccc(F)cc4)CC3)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C37H39FN6O3/c1-4-5-35(45)32-21-39-44(26(32)3)30-13-11-29(12-14-30)40-37(47)33-23-43(34-15-6-25(2)20-31(33)34)24-36(46)42-18-16-41(17-19-42)22-27-7-9-28(38)10-8-27/h6-15,20-21,23H,4-5,16-19,22,24H2,1-3H3,(H,40,47)
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| InChIKey |
OEQBTCBROKYGDY-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