General Information of the Compound
| Compound ID |
CP0398687
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| Compound Name |
N-[2-[4-(butanoylamino)phenyl]ethyl]-5-chloro-3-ethyl-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C23H26ClN3O2
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| Molecular Weight |
411.933
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| Canonical SMILES |
CCCC(=O)Nc1ccc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2CC)cc1
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| InChI |
InChI=1S/C23H26ClN3O2/c1-3-5-21(28)26-17-9-6-15(7-10-17)12-13-25-23(29)22-18(4-2)19-14-16(24)8-11-20(19)27-22/h6-11,14,27H,3-5,12-13H2,1-2H3,(H,25,29)(H,26,28)
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| InChIKey |
BPRKVZYPOIPJKM-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