General Information of the Compound
| Compound ID |
CP0568958
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-5-methylindole-3-carboxamide
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| Structure |
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| Formula |
C34H42N6O3
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| Molecular Weight |
582.749
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| Canonical SMILES |
CCCCN1CCN(CC1)C(=O)Cn1cc(C(=O)Nc2ccc(cc2)-n2ncc(C(=O)CCC)c2C)c2cc(C)ccc12
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| InChI |
InChI=1S/C34H42N6O3/c1-5-7-15-37-16-18-38(19-17-37)33(42)23-39-22-30(28-20-24(3)9-14-31(28)39)34(43)36-26-10-12-27(13-11-26)40-25(4)29(21-35-40)32(41)8-6-2/h9-14,20-22H,5-8,15-19,23H2,1-4H3,(H,36,43)
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| InChIKey |
NWJAOIZKZJJXKV-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