General Information of the Compound
| Compound ID |
CP0448301
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| Compound Name |
[(1S)-2-methyl-1-phenylpropyl] N-[(2R)-1-(8-hydroxyoctylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
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| Structure |
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| Formula |
C29H42N2O4
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| Molecular Weight |
482.665
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| Canonical SMILES |
CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1
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| InChI |
InChI=1S/C29H42N2O4/c1-23(2)26(25-18-12-9-13-19-25)35-28(34)31-29(3,22-24-16-10-8-11-17-24)27(33)30-20-14-6-4-5-7-15-21-32/h8-13,16-19,23,26,32H,4-7,14-15,20-22H2,1-3H3,(H,30,33)(H,31,34)/t26-,29+/m0/s1
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| InChIKey |
QNFSXSITVMDGSZ-LITSAYRRSA-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