General Information of the Compound
| Compound ID |
CP0553593
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| Compound Name |
1-[(6-methoxypyridin-3-yl)methyl]-N,5-dimethyl-N-prop-2-ynylindole-2-carboxamide
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| Formula |
C21H21N3O2
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| Molecular Weight |
347.418
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| Canonical SMILES |
COc1ccc(Cn2c(cc3cc(C)ccc23)C(=O)N(C)CC#C)cn1
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| InChI |
InChI=1S/C21H21N3O2/c1-5-10-23(3)21(25)19-12-17-11-15(2)6-8-18(17)24(19)14-16-7-9-20(26-4)22-13-16/h1,6-9,11-13H,10,14H2,2-4H3
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| InChIKey |
CSOZCXHRQQDTSD-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