General Information of the Compound
| Compound ID |
CP0392668
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| Compound Name |
(2-fluoro-4-methylphenyl)methyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]carbamate
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| Structure |
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| Formula |
C29H30FN3O3
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| Molecular Weight |
487.575
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| Canonical SMILES |
C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccc(C)cc1F)c1ccccc1
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| InChI |
InChI=1S/C29H30FN3O3/c1-19-13-14-22(25(30)15-19)18-36-28(35)33-29(3,16-23-17-31-26-12-8-7-11-24(23)26)27(34)32-20(2)21-9-5-4-6-10-21/h4-15,17,20,31H,16,18H2,1-3H3,(H,32,34)(H,33,35)/t20-,29+/m0/s1
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| InChIKey |
UKNNCAVVVDVTHP-AFJIDDCJSA-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