General Information of the Compound
| Compound ID |
CP0571502
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| Compound Name |
(2S)-N-[(1R)-1-[4-(2-methylpentoxy)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide
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| Structure |
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| Formula |
C27H38N2O2
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| Molecular Weight |
422.613
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| Canonical SMILES |
CCCC(C)COc1ccc(cc1)[C@H](CN1CCCC1)NC(=O)[C@@H](C)c1ccccc1
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| InChI |
InChI=1S/C27H38N2O2/c1-4-10-21(2)20-31-25-15-13-24(14-16-25)26(19-29-17-8-9-18-29)28-27(30)22(3)23-11-6-5-7-12-23/h5-7,11-16,21-22,26H,4,8-10,17-20H2,1-3H3,(H,28,30)/t21?,22-,26-/m0/s1
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| InChIKey |
BFUHIAUJINRVMX-PAGQWHICSA-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