General Information of the Compound
| Compound ID |
CP0286926
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| Compound Name |
[2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-3-ylbutylamino)ethyl]-1H-indol-5-yl]-(2,5-dimethylpyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C34H42N4O
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| Molecular Weight |
522.737
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| Canonical SMILES |
CC1CCC(C)N1C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C34H42N4O/c1-23-18-24(2)20-29(19-23)33-30(14-17-35-15-6-5-8-27-9-7-16-36-22-27)31-21-28(12-13-32(31)37-33)34(39)38-25(3)10-11-26(38)4/h7,9,12-13,16,18-22,25-26,35,37H,5-6,8,10-11,14-15,17H2,1-4H3
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| InChIKey |
RQVXMBCNJPEXBI-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