General Information of the Compound
| Compound ID |
CP0540779
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| Compound Name |
N-[3-(4-tert-butylphenyl)-5,6-dichloro-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C25H30Cl2N4O2
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| Molecular Weight |
489.447
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| Canonical SMILES |
CN1CCN(CC(=O)NC2(C(=O)Nc3cc(Cl)c(Cl)cc23)c2ccc(cc2)C(C)(C)C)CC1
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| InChI |
InChI=1S/C25H30Cl2N4O2/c1-24(2,3)16-5-7-17(8-6-16)25(29-22(32)15-31-11-9-30(4)10-12-31)18-13-19(26)20(27)14-21(18)28-23(25)33/h5-8,13-14H,9-12,15H2,1-4H3,(H,28,33)(H,29,32)
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| InChIKey |
GMPYEOWYKXIMNB-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