General Information of the Compound
| Compound ID |
CP0256086
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| Compound Name |
2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butylamino)-ethyl]-1H-indole-5-carboxylic acid isopropylamide
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| Structure |
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| Formula |
C31H38N4O
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| Molecular Weight |
482.672
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| Canonical SMILES |
CC(C)NC(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C31H38N4O/c1-21(2)34-31(36)25-10-11-29-28(19-25)27(30(35-29)26-17-22(3)16-23(4)18-26)12-15-32-13-6-5-8-24-9-7-14-33-20-24/h7,9-11,14,16-21,32,35H,5-6,8,12-13,15H2,1-4H3,(H,34,36)
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| InChIKey |
HLIRESRMCZSYSD-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