General Information of the Compound
| Compound ID |
CP0421857
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| Compound Name |
4-tert-butylphenyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
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| Structure |
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| Formula |
C21H24N2O3
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| Molecular Weight |
352.434
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| Canonical SMILES |
CC(C)(C)c1ccc(OC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1
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| InChI |
InChI=1S/C21H24N2O3/c1-21(2,3)15-4-7-17(8-5-15)26-20(25)22-11-10-14-13-23-19-9-6-16(24)12-18(14)19/h4-9,12-13,23-24H,10-11H2,1-3H3,(H,22,25)
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| InChIKey |
HNHLMQTUGBZYKH-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