General Information of the Compound
| Compound ID |
CP0443508
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| Compound Name |
(2S)-4-[(6-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine
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| Structure |
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| Formula |
C20H21ClN2O2
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| Molecular Weight |
356.853
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| Canonical SMILES |
Clc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1
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| InChI |
InChI=1S/C20H21ClN2O2/c21-16-6-7-19-15(11-22-20(19)10-16)12-23-8-9-24-18(13-23)14-25-17-4-2-1-3-5-17/h1-7,10-11,18,22H,8-9,12-14H2/t18-/m0/s1
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| InChIKey |
YDZDCNNFRHUVAO-SFHVURJKSA-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