General Information of the Compound
| Compound ID |
CP0041665
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| Compound Name |
2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indole-5-carboxylic acid ethyl-(2-hydroxy-ethyl)-amide
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| Structure |
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| Formula |
C32H40N4O2
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| Molecular Weight |
512.698
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| Canonical SMILES |
CCN(CCO)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C32H40N4O2/c1-4-36(17-18-37)32(38)26-8-9-30-29(22-26)28(31(35-30)27-20-23(2)19-24(3)21-27)12-16-33-13-6-5-7-25-10-14-34-15-11-25/h8-11,14-15,19-22,33,35,37H,4-7,12-13,16-18H2,1-3H3
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| InChIKey |
STAWMTJSUZISPR-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