General Information of the Compound
| Compound ID |
CP0565503
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| Compound Name |
2-[1-(cyclopropylmethyl)-5-(3-methylphenyl)indol-3-yl]acetamide
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| Structure |
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| Formula |
C21H22N2O
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| Molecular Weight |
318.42
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| Canonical SMILES |
Cc1cccc(c1)-c1ccc2n(CC3CC3)cc(CC(N)=O)c2c1
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| InChI |
InChI=1S/C21H22N2O/c1-14-3-2-4-16(9-14)17-7-8-20-19(10-17)18(11-21(22)24)13-23(20)12-15-5-6-15/h2-4,7-10,13,15H,5-6,11-12H2,1H3,(H2,22,24)
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| InChIKey |
XKILPKVCKABVCK-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