General Information of the Compound
| Compound ID |
CP0540050
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]indole-3-carboxamide
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| Structure |
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| Formula |
C36H44N6O3
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| Molecular Weight |
608.787
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCCCC3CN3CCCC3)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C36H44N6O3/c1-4-9-34(43)31-21-37-42(26(31)3)28-14-12-27(13-15-28)38-36(45)32-23-40(33-16-11-25(2)20-30(32)33)24-35(44)41-19-6-5-10-29(41)22-39-17-7-8-18-39/h11-16,20-21,23,29H,4-10,17-19,22,24H2,1-3H3,(H,38,45)
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| InChIKey |
CCIQVHZGLRYWLM-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