General Information of the Compound
| Compound ID |
CP0453090
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| Compound Name |
N,N-dimethyl-2-[2-[3-(2-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-yl]-1H-indol-4-yl]ethanamine
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| Structure |
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| Formula |
C21H23N5O
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| Molecular Weight |
361.449
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| Canonical SMILES |
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCc2ccncc2)no1
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| InChI |
InChI=1S/C21H23N5O/c1-26(2)13-10-16-4-3-5-18-17(16)14-19(23-18)21-24-20(25-27-21)7-6-15-8-11-22-12-9-15/h3-5,8-9,11-12,14,23H,6-7,10,13H2,1-2H3
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| InChIKey |
TWXLJYXDDXKIFW-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