General Information of the Compound
| Compound ID |
CP0535136
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| Compound Name |
5-acetamido-1-[(4-methoxyphenyl)methyl]-N-methyl-N-prop-2-ynylindole-2-carboxamide
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| Formula |
C23H23N3O3
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| Molecular Weight |
389.455
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| Canonical SMILES |
COc1ccc(Cn2c(cc3cc(NC(C)=O)ccc23)C(=O)N(C)CC#C)cc1
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| InChI |
InChI=1S/C23H23N3O3/c1-5-12-25(3)23(28)22-14-18-13-19(24-16(2)27)8-11-21(18)26(22)15-17-6-9-20(29-4)10-7-17/h1,6-11,13-14H,12,15H2,2-4H3,(H,24,27)
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| InChIKey |
KRPGWCHZBIGSMM-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