General Information of the Compound
| Compound ID |
CP0542918
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| Compound Name |
N-[(2S)-1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-yl]acetamide
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| Structure |
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| Formula |
C22H26N2O2
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| Molecular Weight |
350.462
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| Canonical SMILES |
CC(=O)N[C@H](COCc1cc(C)cc(C)c1)Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C22H26N2O2/c1-15-8-16(2)10-18(9-15)13-26-14-20(24-17(3)25)11-19-12-23-22-7-5-4-6-21(19)22/h4-10,12,20,23H,11,13-14H2,1-3H3,(H,24,25)/t20-/m0/s1
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| InChIKey |
VBAXZQRCTGIDGP-FQEVSTJZSA-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