General Information of the Compound
| Compound ID |
CP0575162
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| Compound Name |
6-butyl-3-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one
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| Structure |
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| Formula |
C29H34Cl2N4O3
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| Molecular Weight |
557.522
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| Canonical SMILES |
CCCCc1nc(O)c(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)c(O)c1N(CC)c1ccccc1
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| InChI |
InChI=1S/C29H34Cl2N4O3/c1-3-5-14-23-26(35(4-2)21-11-7-6-8-12-21)27(36)24(28(37)32-23)29(38)34-17-15-33(16-18-34)19-20-10-9-13-22(30)25(20)31/h6-13H,3-5,14-19H2,1-2H3,(H2,32,36,37)
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| InChIKey |
RCQJRGFZMQKIQZ-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