General Information of the Compound
| Compound ID |
CP0045709
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| Compound Name |
2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butylamino)-ethyl]-1H-indole-5-carboxylic acid diisobutylamide
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| Structure |
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| Formula |
C36H48N4O
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| Molecular Weight |
552.807
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| Canonical SMILES |
CC(C)CN(CC(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C36H48N4O/c1-25(2)23-40(24-26(3)4)36(41)30-12-13-34-33(21-30)32(35(39-34)31-19-27(5)18-28(6)20-31)14-17-37-15-8-7-10-29-11-9-16-38-22-29/h9,11-13,16,18-22,25-26,37,39H,7-8,10,14-15,17,23-24H2,1-6H3
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| InChIKey |
YNTAWPKJBIRESB-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