General Information of the Compound
| Compound ID |
CP0503319
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| Compound Name |
(3-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-1H-indol-7-yloxy)-acetic acid methyl ester
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| Structure |
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| Formula |
C22H25ClN2O4
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| Molecular Weight |
416.905
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| Canonical SMILES |
COC(=O)COc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12
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| InChI |
InChI=1S/C22H25ClN2O4/c1-14(24-12-19(26)15-5-3-6-17(23)10-15)9-16-11-25-22-18(16)7-4-8-20(22)29-13-21(27)28-2/h3-8,10-11,14,19,24-26H,9,12-13H2,1-2H3/t14?,19-/m0/s1
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| InChIKey |
GBDSYNHPPHBHMR-PKDNWHCCSA-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