General Information of the Compound
| Compound ID |
CP0352069
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| Compound Name |
2-(3,5-Dimethyl-phenyl)-3-{2-[methyl-(4-pyridin-4-yl-butyl)-amino]-ethyl}-1H-indole-5-carboxylic acid diethylamide
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| Structure |
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| Formula |
C33H42N4O
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| Molecular Weight |
510.726
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc2[nH]c(c(CCN(C)CCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C33H42N4O/c1-6-37(7-2)33(38)27-11-12-31-30(23-27)29(32(35-31)28-21-24(3)20-25(4)22-28)15-19-36(5)18-9-8-10-26-13-16-34-17-14-26/h11-14,16-17,20-23,35H,6-10,15,18-19H2,1-5H3
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| InChIKey |
NWMBZFJQNYWCNU-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