General Information of the Compound
| Compound ID |
CP0258027
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| Compound Name |
2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butylamino)-ethyl]-1H-indole-5-carboxylic acid bis-(2-methoxy-ethyl)-amide
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| Structure |
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| Formula |
C34H44N4O3
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| Molecular Weight |
556.751
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| Canonical SMILES |
COCCN(CCOC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C34H44N4O3/c1-25-20-26(2)22-29(21-25)33-30(12-15-35-13-6-5-8-27-9-7-14-36-24-27)31-23-28(10-11-32(31)37-33)34(39)38(16-18-40-3)17-19-41-4/h7,9-11,14,20-24,35,37H,5-6,8,12-13,15-19H2,1-4H3
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| InChIKey |
PHOPWDSZYFWCCF-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