General Information of the Compound
| Compound ID |
CP0495666
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| Compound Name |
5-(methanesulfonamido)-1-[(4-methoxyphenyl)methyl]-N-methyl-N-prop-2-ynylindole-2-carboxamide
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| Formula |
C22H23N3O4S
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| Molecular Weight |
425.51
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| Canonical SMILES |
COc1ccc(Cn2c(cc3cc(NS(C)(=O)=O)ccc23)C(=O)N(C)CC#C)cc1
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| InChI |
InChI=1S/C22H23N3O4S/c1-5-12-24(2)22(26)21-14-17-13-18(23-30(4,27)28)8-11-20(17)25(21)15-16-6-9-19(29-3)10-7-16/h1,6-11,13-14,23H,12,15H2,2-4H3
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| InChIKey |
LJUWJNWGKQVUIF-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